##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 Bis[1,1'-bis(diphenylphosphino)ferrocenethiocyanatocopper(I)]
 dichloromethane disolvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C70 H56 Cu2 Fe2 N2 P4 S2, 2(C H2 Cl2)'
_chemical_formula_sum     'C72 H60 Cl4 Cu2 Fe2 N2 P4 S2'
_chemical_formula_iupac     '[Cu(C~34~H~28~P~2~)(SCN)]~2~.2CH~2~Cl~2~'
_chemical_formula_weight     1521.80
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'C 2/c'
_symmetry_space_group_name_Hall     '-C 2yc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    'x, -y, z+1/2'
    'x+1/2, y+1/2, z'
    'x+1/2, -y+1/2, z+1/2'
    '-x, -y, -z'
    '-x, y, -z-1/2'
    '-x+1/2, -y+1/2, -z'
    '-x+1/2, y+1/2, -z-1/2'
_cell_length_a     27.253(2)
_cell_length_b     16.6620(10)
_cell_length_c     17.1790(10)
_cell_angle_alpha     90
_cell_angle_beta     114.4290(10)
_cell_angle_gamma     90
_cell_volume     7102.6(7)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     3724
_cell_measurement_theta_min     2.4
_cell_measurement_theta_max     26.4
_cell_measurement_temperature     123(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     Orange
_exptl_crystal_size_max     0.42
_exptl_crystal_size_mid     0.39
_exptl_crystal_size_min     0.34
_exptl_crystal_density_diffrn     1.423
_exptl_crystal_density_meas     1.460
_exptl_crystal_density_method     'Flotation in CH~3~OH/CCl~4~'
_exptl_crystal_F_000     3104
_exptl_absorpt_coefficient_mu     1.333
_exptl_absorpt_correction_type     Multi-scan
_exptl_absorpt_process_details     'SADABS (Bruker, 2002)'
_exptl_absorpt_correction_T_min     0.312
_exptl_absorpt_correction_T_max     0.636
_diffrn_ambient_temperature     123(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEX area-detector diffractometer'
_diffrn_measurement_method     'φ and ω scan'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     20031
_diffrn_reflns_av_R_equivalents     0.039
_diffrn_reflns_av_sigmaI/netI     0.053
_diffrn_reflns_theta_min     1.5
_diffrn_reflns_theta_max     26.5
_diffrn_reflns_theta_full     26.5
_diffrn_measured_fraction_theta_max     1.00
_diffrn_measured_fraction_theta_full     1.00
_diffrn_reflns_limit_h_min     -34
_diffrn_reflns_limit_h_max     33
_diffrn_reflns_limit_k_min     -20
_diffrn_reflns_limit_k_max     20
_diffrn_reflns_limit_l_min     -21
_diffrn_reflns_limit_l_max     15
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_reflns_number_total     7360
_reflns_number_gt     6058
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.067
_refine_ls_R_factor_gt     0.056
_refine_ls_wR_factor_gt     0.158
_refine_ls_wR_factor_ref     0.166
_refine_ls_goodness_of_fit_ref     1.05
_refine_ls_restrained_S_all     1.06
_refine_ls_number_reflns     7360
_refine_ls_number_parameters     412
_refine_ls_number_restraints     42
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
        'calc w=1/[σ²(Fo²)+(0.0898P)²+19.2860P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     <0.001
_refine_diff_density_max     1.10
_refine_diff_density_min     -1.01
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'P' 'P' 0.1023 0.0942
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Fe' 'Fe' 0.3463 0.8444
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cu' 'Cu' 0.3201 1.2651
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2002)'
_computing_cell_refinement     'SAINT (Bruker, 2002)'
_computing_data_reduction     SAINT
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEP-II (Johnson, 1976)'
_computing_publication_material     SHELXL-97
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Cu1 0.70762(2) 0.32251(3) 0.59026(3) 0.0173(2) Uani d . 1 . . Cu
    Fe1 0.56436(2) 0.37527(3) 0.59348(3) 0.0192(2) Uani d . 1 . . Fe
    Cl1 -0.0260(4) 0.3256(5) 0.1767(6) 0.144(2) Uani d PDU 0.50 A -1 Cl
    Cl2 0.0354(4) 0.3560(5) 0.3656(6) 0.144(2) Uani d PDU 0.50 A -1 Cl
    Cl3 0.0516(6) 0.4211(9) -0.1200(8) 0.289(5) Uani d PDU 0.50 B -2 Cl
    Cl4 0.0195(6) 0.3845(9) -0.2994(8) 0.289(5) Uani d PDU 0.50 B -2 Cl
    S1 0.79461(4) 0.36866(6) 0.60923(7) 0.0231(2) Uani d . 1 . . S
    P1 0.69552(4) 0.32217(6) 0.71195(6) 0.0158(2) Uani d . 1 . . P
    P2 0.64191(4) 0.39349(6) 0.48389(6) 0.0164(2) Uani d . 1 . . P
    N1 0.80080(10)
                 0.2816(2) 0.4734(2) 0.0214(7) Uani d . 1 . . N
    C1 0.7474(2) 0.3727(2) 0.8039(2) 0.0210(10)
                                              Uani d . 1 . . C
    C2 0.7367(2) 0.4267(3) 0.8574(3) 0.0270(10)
                                              Uani d . 1 . . C
    C3 0.7791(2) 0.4615(3) 0.9262(3) 0.0350(10)
                                              Uani d . 1 . . C
    C4 0.8316(2) 0.4431(3) 0.9417(3) 0.0370(10)
                                              Uani d . 1 . . C
    C5 0.8427(2) 0.3899(3) 0.8897(3) 0.0340(10)
                                              Uani d . 1 . . C
    C6 0.8012(2) 0.3552(3) 0.8204(3) 0.0260(10)
                                              Uani d . 1 . . C
    C7 0.6898(2) 0.2252(2) 0.7579(3) 0.0200(10)
                                              Uani d . 1 . . C
    C8 0.6877(2) 0.2220(3) 0.8375(3) 0.0280(10)
                                              Uani d . 1 . . C
    C9 0.6793(2) 0.1496(3) 0.8694(3) 0.0370(10)
                                              Uani d . 1 . . C
    C10 0.6741(2) 0.0797(3) 0.8232(4) 0.0400(10)
                                               Uani d . 1 . . C
    C11 0.6777(2) 0.0825(3) 0.7465(4) 0.0400(10)
                                               Uani d . 1 . . C
    C12 0.6850(2) 0.1554(2) 0.7124(3) 0.0270(10)
                                               Uani d . 1 . . C
    C13 0.6332(2) 0.3677(2) 0.7042(2) 0.0200(10)
                                               Uani d . 1 . . C
    C14 0.6186(2) 0.4504(2) 0.6822(2) 0.0260(10)
                                               Uani d . 1 . . C
    C15 0.5667(2) 0.4629(3) 0.6803(3) 0.0350(10)
                                               Uani d . 1 . . C
    C16 0.5481(2) 0.3887(4) 0.6978(3) 0.0380(10)
                                               Uani d . 1 . . C
    C17 0.5891(2) 0.3301(3) 0.7137(3) 0.0260(10)
                                               Uani d . 1 . . C
    C18 0.5324(2) 0.4194(2) 0.4719(2) 0.0210(10)
                                               Uani d . 1 . . C
    C19 0.4933(2) 0.3728(3) 0.4858(3) 0.0260(10)
                                               Uani d . 1 . . C
    C20 0.5136(2) 0.2936(3) 0.5074(3) 0.0270(10)
                                               Uani d . 1 . . C
    C21 0.5660(2) 0.2915(2) 0.5079(2) 0.0220(10)
                                               Uani d . 1 . . C
    C25 0.5760(2) 0.3202(3) 0.2321(3) 0.0370(10)
                                               Uani d . 1 . . C
    C26 0.6201(2) 0.3238(3) 0.2116(3) 0.0270(10)
                                               Uani d . 1 . . C
    C27 0.6691(2) 0.3488(3) 0.2721(3) 0.0270(10)
                                               Uani d . 1 . . C
    C28 0.6747(2) 0.3709(2) 0.3532(3) 0.0220(10)
                                               Uani d . 1 . . C
    C29 0.6437(2) 0.5033(2) 0.4853(2) 0.0190(10)
                                               Uani d . 1 . . C
    C30 0.6096(2) 0.5506(2) 0.4181(3) 0.0210(10)
                                               Uani d . 1 . . C
    C31 0.6118(2) 0.6339(2) 0.4252(3) 0.0260(10)
                                               Uani d . 1 . . C
    C32 0.6481(2) 0.6699(2) 0.4987(3) 0.0270(10)
                                               Uani d . 1 . . C
    C33 0.6831(2) 0.6239(3) 0.5655(3) 0.0270(10)
                                               Uani d . 1 . . C
    C34 0.6813(2) 0.5407(2) 0.5585(3) 0.0240(10)
                                               Uani d . 1 . . C
    C35 0.7986(2) 0.3176(2) 0.5293(3) 0.0180(10)
                                               Uani d . 1 . . C
    C36 -0.0190(10)
                  0.3880(10)
                           0.2670(10)
                                    0.21(2) Uani d PDU 0.50 A -1 C
    C37 0.0600(10)
                 0.352(2) -0.1930(10)
                                    0.23(2) Uani d PDU 0.50 B -2 C
    H2 0.7006 0.4395 0.8468 0.032 Uiso calc R 1 . . H
    H3 0.7717 0.4980 0.9625 0.042 Uiso calc R 1 . . H
    H4 0.8604 0.4673 0.9886 0.044 Uiso calc R 1 . . H
    H5 0.8790 0.3769 0.9015 0.041 Uiso calc R 1 . . H
    H6 0.8091 0.3195 0.7840 0.031 Uiso calc R 1 . . H
    H8 0.6920 0.2697 0.8700 0.034 Uiso calc R 1 . . H
    H9 0.6771 0.1479 0.9231 0.044 Uiso calc R 1 . . H
    H10 0.6680 0.0301 0.8449 0.048 Uiso calc R 1 . . H
    H11 0.6753 0.0341 0.7158 0.047 Uiso calc R 1 . . H
    H12 0.6866 0.1568 0.6582 0.032 Uiso calc R 1 . . H
    H14 0.6412 0.4919 0.6704 0.031 Uiso calc R 1 . . H
    H15 0.5462 0.5146 0.6664 0.042 Uiso calc R 1 . . H
    H16 0.5124 0.3793 0.6998 0.046 Uiso calc R 1 . . H
    H17 0.5872 0.2725 0.7289 0.031 Uiso calc R 1 . . H
    H18 0.5289 0.4775 0.4557 0.025 Uiso calc R 1 . . H
    H19 0.4576 0.3925 0.4816 0.031 Uiso calc R 1 . . H
    H20 0.4948 0.2479 0.5213 0.033 Uiso calc R 1 . . H
    H21 0.5903 0.2436 0.5215 0.026 Uiso calc R 1 . . H
    C22 0.57786(16) 0.3696(2) 0.4859(2) 0.0186(8) Uani d . 1 . . C
    C23 0.63042(16) 0.3680(2) 0.3744(2) 0.0176(8) Uani d . 1 . . C
    C24 0.58139(18) 0.3428(3) 0.3131(3) 0.0319(10) Uani d . 1 . . C
    H24 0.5509 0.3410 0.3266 0.038 Uiso calc R 1 . . H
    H25 0.5421 0.3023 0.1909 0.044 Uiso calc R 1 . . H
    H26 0.6164 0.3091 0.1560 0.032 Uiso calc R 1 . . H
    H27 0.6994 0.3509 0.2582 0.032 Uiso calc R 1 . . H
    H28 0.7087 0.3882 0.3945 0.026 Uiso calc R 1 . . H
    H30 0.5847 0.5261 0.3671 0.025 Uiso calc R 1 . . H
    H31 0.5881 0.6660 0.3794 0.031 Uiso calc R 1 . . H
    H32 0.6490 0.7268 0.5034 0.033 Uiso calc R 1 . . H
    H33 0.7083 0.6489 0.6159 0.033 Uiso calc R 1 . . H
    H34 0.7058 0.5090 0.6039 0.029 Uiso calc R 1 . . H
    H36a -0.0129 0.4441 0.2549 0.247 Uiso calc PR 0.50 A -1 H
    H36b -0.0534 0.3863 0.2743 0.247 Uiso calc PR 0.50 A -1 H
    H37a 0.0480 0.2976 -0.1834 0.279 Uiso calc PR 0.50 B -2 H
    H37b 0.0980 0.3489 -0.1829 0.279 Uiso calc PR 0.50 B -2 H
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Cu1 0.0222(3) 0.0178(3) 0.0137(3) 0.0052(2) 0.0094(2) 0.0000(2)
    Fe1 0.0234(3) 0.0251(3) 0.0109(3) 0.0081(2) 0.0089(2) 0.0015(2)
    Cl1 0.145(3) 0.139(4) 0.160(5) -0.025(3) 0.075(4) -0.005(3)
    Cl2 0.145(3) 0.139(4) 0.160(5) -0.025(3) 0.075(4) -0.005(3)
    Cl3 0.291(7) 0.258(7) 0.284(7) 0.055(5) 0.086(5) -0.016(5)
    Cl4 0.291(7) 0.258(7) 0.284(7) 0.055(5) 0.086(5) -0.016(5)
    S1 0.0275(5) 0.0230(5) 0.0229(5) -0.0032(4) 0.0143(5) -0.0092(4)
    P1 0.0219(5) 0.0145(5) 0.0125(5) 0.0054(4) 0.0086(4) 0.0020(4)
    P2 0.0208(5) 0.0181(5) 0.0109(5) 0.0027(4) 0.0071(4) 0.0000(4)
    N1 0.026(2) 0.020(2) 0.021(2) 0.0030(10)
                                           0.012(2) -0.0010(10)
    C1 0.031(2) 0.019(2) 0.012(2) 0.001(2) 0.009(2) 0.003(2)
    C2 0.034(2) 0.026(2) 0.019(2) 0.003(2) 0.011(2) -0.003(2)
    C3 0.053(3) 0.030(2) 0.018(2) 0.000(2) 0.009(2) -0.004(2)
    C4 0.042(3) 0.040(3) 0.020(2) -0.010(2) 0.004(2) 0.003(2)
    C5 0.031(2) 0.040(3) 0.026(2) -0.006(2) 0.007(2) 0.007(2)
    C6 0.030(2) 0.028(2) 0.019(2) 0.002(2) 0.010(2) 0.005(2)
    C7 0.021(2) 0.018(2) 0.023(2) 0.010(2) 0.011(2) 0.006(2)
    C8 0.040(3) 0.022(2) 0.029(2) 0.013(2) 0.020(2) 0.009(2)
    C9 0.049(3) 0.032(2) 0.040(3) 0.014(2) 0.029(3) 0.017(2)
    C10 0.050(3) 0.023(2) 0.056(3) 0.007(2) 0.031(3) 0.018(2)
    C11 0.051(3) 0.018(2) 0.054(3) 0.001(2) 0.027(3) 0.000(2)
    C12 0.035(2) 0.020(2) 0.027(2) 0.004(2) 0.014(2) 0.001(2)
    C13 0.026(2) 0.023(2) 0.012(2) 0.007(2) 0.009(2) 0.000(2)
    C14 0.036(2) 0.023(2) 0.012(2) 0.016(2) 0.004(2) -0.001(2)
    C15 0.045(3) 0.043(3) 0.010(2) 0.028(2) 0.006(2) 0.000(2)
    C16 0.026(2) 0.081(4) 0.011(2) 0.021(2) 0.011(2) 0.004(2)
    C17 0.028(2) 0.042(3) 0.011(2) 0.006(2) 0.012(2) 0.006(2)
    C18 0.023(2) 0.028(2) 0.010(2) 0.004(2) 0.006(2) 0.000(2)
    C19 0.023(2) 0.041(2) 0.014(2) 0.005(2) 0.009(2) 0.000(2)
    C20 0.032(2) 0.034(2) 0.018(2) -0.004(2) 0.013(2) -0.002(2)
    C21 0.031(2) 0.022(2) 0.015(2) 0.000(2) 0.011(2) -0.002(2)
    C22 0.026(2) 0.022(2) 0.011(2) 0.002(2) 0.010(2) 0.000(2)
    C23 0.026(2) 0.014(2) 0.015(2) 0.003(2) 0.010(2) 0.0010(10)
    C24 0.025(2) 0.056(3) 0.018(2) -0.008(2) 0.012(2) -0.009(2)
    C25 0.032(3) 0.058(3) 0.019(2) -0.015(2) 0.010(2) -0.014(2)
    C26 0.038(3) 0.030(2) 0.015(2) 0.007(2) 0.014(2) 0.000(2)
    C27 0.029(2) 0.034(2) 0.021(2) 0.008(2) 0.015(2) 0.004(2)
    C28 0.020(2) 0.027(2) 0.018(2) 0.002(2) 0.009(2) 0.001(2)
    C29 0.024(2) 0.019(2) 0.017(2) 0.003(2) 0.011(2) 0.001(2)
    C30 0.028(2) 0.021(2) 0.013(2) 0.000(2) 0.009(2) -0.001(2)
    C31 0.041(3) 0.020(2) 0.021(2) 0.005(2) 0.018(2) 0.008(2)
    C32 0.044(3) 0.017(2) 0.029(2) -0.005(2) 0.024(2) -0.001(2)
    C33 0.033(2) 0.027(2) 0.023(2) -0.008(2) 0.013(2) -0.009(2)
    C34 0.026(2) 0.026(2) 0.019(2) 0.002(2) 0.007(2) -0.001(2)
    C35 0.018(2) 0.015(2) 0.019(2) 0.0000(10)
                                            0.006(2) 0.002(2)
    C36 0.20(2) 0.20(2) 0.20(2) 0.010(10)
                                        0.070(10)
                                                 0.000(10)
    C37 0.23(2) 0.23(2) 0.23(2) 0.010(10)
                                        0.090(10)
                                                -0.010(10)
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Cu1 N1 7_656 2.013(3) yes
    Cu1 P1 . 2.2470(10)
                      yes
    Cu1 P2 . 2.2890(10)
                      yes
    Cu1 S1 . 2.3830(10)
                      yes
    Fe1 C13 . 2.050(4) yes
    Fe1 C14 . 2.052(4) yes
    Fe1 C15 . 2.070(4) yes
    Fe1 C16 . 2.029(4) yes
    Fe1 C17 . 2.034(4) yes
    Fe1 C18 . 2.039(4) yes
    Fe1 C19 . 2.053(4) yes
    Fe1 C20 . 2.064(4) yes
    Fe1 C21 . 2.041(4) yes
    Fe1 C22 . 2.030(4) yes
    S1 C35 . 1.657(4) no
    P1 C13 . 1.814(4) no
    P1 C1 . 1.832(4) no
    P1 C7 . 1.832(4) no
    P2 C22 . 1.805(4) no
    P2 C23 . 1.825(4) no
    P2 C29 . 1.830(4) no
    N1 C35 . 1.153(5) no
    C1 C2 . 1.399(6) no
    C1 C6 . 1.406(6) no
    C2 C3 . 1.391(6) no
    C3 C4 . 1.379(7) no
    C4 C5 . 1.379(7) no
    C5 C6 . 1.384(6) no
    C7 C12 . 1.377(6) no
    C7 C8 . 1.393(6) no
    C8 C9 . 1.382(6) no
    C9 C10 . 1.382(7) no
    C10 C11 . 1.363(7) no
    C11 C12 . 1.399(6) no
    C13 C17 . 1.426(6) no
    C13 C14 . 1.441(5) no
    C14 C15 . 1.416(7) no
    C15 C16 . 1.416(8) no
    C16 C17 . 1.423(6) no
    C18 C19 . 1.417(6) no
    C18 C22 . 1.427(5) no
    C19 C20 . 1.419(6) no
    C20 C21 . 1.426(6) no
    C21 C22 . 1.430(6) no
    C23 C24 . 1.380(6) no
    C23 C28 . 1.397(5) no
    C24 C25 . 1.390(6) no
    C25 C26 . 1.386(6) no
    C26 C27 . 1.374(6) no
    C27 C28 . 1.388(6) no
    C29 C30 . 1.391(5) no
    C29 C34 . 1.397(6) no
    C30 C31 . 1.392(6) no
    C31 C32 . 1.378(6) no
    C32 C33 . 1.383(6) no
    C33 C34 . 1.391(6) no
    Cl1 C36 . 1.810(10)
                      no
    Cl2 C36 . 1.810(10)
                      no
    Cl3 C37 . 1.780(10)
                      no
    Cl4 C37 . 1.790(10)
                      no
    C3 H3 . 0.95 no
    C2 H2 . 0.95 no
    C4 H4 . 0.95 no
    C5 H5 . 0.95 no
    C6 H6 . 0.95 no
    C8 H8 . 0.95 no
    C9 H9 . 0.95 no
    C10 H10 . 0.95 no
    C11 H11 . 0.95 no
    C12 H12 . 0.95 no
    C14 H14 . 1.00 no
    C15 H15 . 1.00 no
    C16 H16 . 1.00 no
    C17 H17 . 1.00 no
    C18 H18 . 1.00 no
    C19 H19 . 1.00 no
    C20 H20 . 1.00 no
    C21 H21 . 1.00 no
    C24 H24 . 0.95 no
    C25 H25 . 0.95 no
    C26 H26 . 0.95 no
    C27 H27 . 0.95 no
    C28 H28 . 0.95 no
    C30 H30 . 0.95 no
    C31 H31 . 0.95 no
    C32 H32 . 0.95 no
    C33 H33 . 0.95 no
    C34 H34 . 0.95 no
    C36 H36a . 0.99 no
    C36 H36b . 0.99 no
    C37 H37a . 0.99 no
    C37 H37b . 0.99 no
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N1 Cu1 P1 7_656 . 118.40(10)
                               yes
    N1 Cu1 P2 7_656 . 97.80(10)
                              yes
    N1 Cu1 S1 7_656 . 103.60(10)
                               yes
    P1 Cu1 P2 . . 112.13(4) yes
    P1 Cu1 S1 . . 113.21(4) yes
    P2 Cu1 S1 . . 110.37(4) yes
    C13 Fe1 C14 . . 41.1(2) yes
    C13 Fe1 C15 . . 68.3(2) yes
    C13 Fe1 C16 . . 68.8(2) yes
    C13 Fe1 C17 . . 40.9(2) yes
    C13 Fe1 C18 . . 144.3(2) yes
    C13 Fe1 C19 . . 174.6(2) yes
    C13 Fe1 C21 . . 110.0(2) yes
    C13 Fe1 C22 . . 113.6(2) yes
    C14 Fe1 C15 . . 40.2(2) yes
    C14 Fe1 C16 . . 68.3(2) yes
    C14 Fe1 C17 . . 68.8(2) yes
    C14 Fe1 C18 . . 114.3(2) yes
    C14 Fe1 C19 . . 143.4(2) yes
    C13 Fe1 C20 . . 135.2(2) yes
    C14 Fe1 C20 . . 176.2(2) yes
    C14 Fe1 C21 . . 136.8(2) yes
    C14 Fe1 C22 . . 111.0(2) yes
    C15 Fe1 C16 . . 40.4(2) yes
    C15 Fe1 C17 . . 68.3(2) yes
    C15 Fe1 C18 . . 110.9(2) yes
    C15 Fe1 C19 . . 113.6(2) yes
    C15 Fe1 C20 . . 142.5(2) yes
    C15 Fe1 C21 . . 176.7(2) yes
    C15 Fe1 C22 . . 136.5(2) yes
    C16 Fe1 C17 . . 41.0(2) yes
    C16 Fe1 C18 . . 135.1(2) yes
    C16 Fe1 C19 . . 109.2(2) yes
    C16 Fe1 C20 . . 112.2(2) yes
    C16 Fe1 C21 . . 142.1(2) yes
    C16 Fe1 C22 . . 175.8(2) yes
    C17 Fe1 C18 . . 174.6(2) yes
    C17 Fe1 C19 . . 134.5(2) yes
    C17 Fe1 C20 . . 109.0(2) yes
    C17 Fe1 C21 . . 112.4(2) yes
    C17 Fe1 C22 . . 143.0(2) yes
    C18 Fe1 C20 . . 68.2(2) yes
    C18 Fe1 C21 . . 68.7(2) yes
    C18 Fe1 C22 . . 41.1(2) yes
    C18 Fe1 C19 . . 40.5(2) yes
    C19 Fe1 C20 . . 40.3(2) yes
    C19 Fe1 C21 . . 68.3(2) yes
    C19 Fe1 C22 . . 68.7(2) yes
    C20 Fe1 C21 . . 40.6(2) yes
    C20 Fe1 C22 . . 68.8(2) yes
    C21 Fe1 C22 . . 41.1(2) yes
    C35 S1 Cu1 . . 97.10(10)
                           no
    C13 P1 C1 . . 103.6(2) no
    C13 P1 C7 . . 99.1(2) no
    C1 P1 C7 . . 101.9(2) no
    C13 P1 Cu1 . . 115.10(10)
                            no
    C1 P1 Cu1 . . 116.30(10)
                           no
    C7 P1 Cu1 . . 118.30(10)
                           no
    C22 P2 C23 . . 102.3(2) no
    C22 P2 C29 . . 104.0(2) no
    C23 P2 C29 . . 103.8(2) no
    C22 P2 Cu1 . . 108.30(10)
                            no
    C23 P2 Cu1 . . 116.50(10)
                            no
    C29 P2 Cu1 . . 119.90(10)
                            no
    C35 N1 Cu1 . 7_656 150.0(3) no
    C2 C1 C6 . . 119.0(4) no
    C2 C1 P1 . . 124.5(3) no
    C6 C1 P1 . . 116.5(3) no
    C3 C2 C1 . . 120.1(4) no
    C4 C3 C2 . . 120.2(4) no
    C3 C4 C5 . . 120.4(4) no
    C4 C5 C6 . . 120.5(5) no
    C5 C6 C1 . . 119.9(4) no
    C12 C7 C8 . . 119.4(4) no
    C12 C7 P1 . . 120.3(3) no
    C8 C7 P1 . . 120.1(3) no
    C9 C8 C7 . . 120.2(4) no
    C8 C9 C10 . . 120.2(4) no
    C11 C10 C9 . . 119.7(4) no
    C10 C11 C12 . . 120.9(5) no
    C7 C12 C11 . . 119.5(4) no
    C17 C13 C14 . . 107.2(4) no
    C17 C13 P1 . . 128.0(3) no
    C14 C13 P1 . . 124.6(3) no
    C17 C13 Fe1 . . 69.0(2) no
    C14 C13 Fe1 . . 69.5(2) no
    P1 C13 Fe1 . . 124.3(2) no
    C15 C14 C13 . . 108.2(4) no
    C15 C14 Fe1 . . 70.6(3) no
    C13 C14 Fe1 . . 69.4(2) no
    C14 C15 C16 . . 108.0(4) no
    C14 C15 Fe1 . . 69.2(2) no
    C16 C15 Fe1 . . 68.3(3) no
    C15 C16 C17 . . 108.6(4) no
    C15 C16 Fe1 . . 71.3(2) no
    C17 C16 Fe1 . . 69.7(2) no
    C16 C17 C13 . . 108.0(4) no
    C16 C17 Fe1 . . 69.3(2) no
    C13 C17 Fe1 . . 70.2(2) no
    C19 C18 C22 . . 108.3(4) no
    C19 C18 Fe1 . . 70.2(2) no
    C22 C18 Fe1 . . 69.1(2) no
    C18 C19 C20 . . 108.4(4) no
    C18 C19 Fe1 . . 69.2(2) no
    C20 C19 Fe1 . . 70.3(2) no
    C19 C20 C21 . . 107.8(4) no
    C19 C20 Fe1 . . 69.4(3) no
    C21 C20 Fe1 . . 68.8(2) no
    C20 C21 C22 . . 108.1(4) no
    C20 C21 Fe1 . . 70.6(2) no
    C22 C21 Fe1 . . 69.0(2) no
    C18 C22 C21 . . 107.4(4) no
    C18 C22 P2 . . 130.4(3) no
    C21 C22 P2 . . 122.2(3) no
    C18 C22 Fe1 . . 69.8(2) no
    C21 C22 Fe1 . . 69.9(2) no
    P2 C22 Fe1 . . 123.2(2) no
    C24 C23 C28 . . 118.7(4) no
    C24 C23 P2 . . 123.7(3) no
    C28 C23 P2 . . 117.5(3) no
    C23 C24 C25 . . 120.9(4) no
    C26 C25 C24 . . 119.9(4) no
    C27 C26 C25 . . 119.6(4) no
    C26 C27 C28 . . 120.6(4) no
    C27 C28 C23 . . 120.2(4) no
    C30 C29 C34 . . 118.9(4) no
    C30 C29 P2 . . 123.4(3) no
    C34 C29 P2 . . 117.6(3) no
    C29 C30 C31 . . 120.2(4) no
    C32 C31 C30 . . 120.2(4) no
    C31 C32 C33 . . 120.4(4) no
    C32 C33 C34 . . 119.5(4) no
    C33 C34 C29 . . 120.6(4) no
    N1 C35 S1 . . 179.2(4) no
    Cl2 C36 Cl1 . . 113.0(10)
                           no
    Cl3 C37 Cl4 . . 109.0(10)
                           no
    C3 C2 H2 . . 120.0 no
    C1 C2 H2 . . 120.0 no
    C4 C3 H3 . . 119.9 no
    C2 C3 H3 . . 119.9 no
    C3 C4 H4 . . 119.8 no
    C5 C4 H4 . . 119.8 no
    C4 C5 H5 . . 119.8 no
    C6 C5 H5 . . 119.8 no
    C5 C6 H6 . . 120.0 no
    C1 C6 H6 . . 120.0 no
    C9 C8 H8 . . 119.9 no
    C7 C8 H8 . . 119.9 no
    C8 C9 H9 . . 119.9 no
    C10 C9 H9 . . 119.9 no
    C11 C10 H10 . . 120.2 no
    C9 C10 H10 . . 120.2 no
    C10 C11 H11 . . 119.5 no
    C12 C11 H11 . . 119.5 no
    C7 C12 H12 . . 120.3 no
    C11 C12 H12 . . 120.3 no
    C15 C14 H14 . . 125.9 no
    C13 C14 H14 . . 125.9 no
    Fe1 C14 H14 . . 125.9 no
    C14 C15 H15 . . 126.0 no
    C16 C15 H15 . . 126.0 no
    Fe1 C15 H15 . . 126.0 no
    C15 C16 H16 . . 125.7 no
    C17 C16 H16 . . 125.7 no
    Fe1 C16 H16 . . 125.7 no
    C16 C17 H17 . . 126.0 no
    C13 C17 H17 . . 126.0 no
    Fe1 C17 H17 . . 126.0 no
    C19 C18 H18 . . 125.9 no
    C22 C18 H18 . . 125.9 no
    Fe1 C18 H18 . . 125.9 no
    C18 C19 H19 . . 125.8 no
    C20 C19 H19 . . 125.8 no
    Fe1 C19 H19 . . 125.8 no
    C19 C20 H20 . . 126.1 no
    C21 C20 H20 . . 126.1 no
    Fe1 C20 H20 . . 126.1 no
    C20 C21 H21 . . 125.9 no
    C22 C21 H21 . . 125.9 no
    Fe1 C21 H21 . . 125.9 no
    C23 C24 H24 . . 119.5 no
    C25 C24 H24 . . 119.5 no
    C26 C25 H25 . . 120.0 no
    C24 C25 H25 . . 120.0 no
    C27 C26 H26 . . 120.2 no
    C25 C26 H26 . . 120.2 no
    C26 C27 H27 . . 119.7 no
    C28 C27 H27 . . 119.7 no
    C27 C28 H28 . . 119.9 no
    C23 C28 H28 . . 119.9 no
    C29 C30 H30 . . 119.9 no
    C31 C30 H30 . . 119.9 no
    C32 C31 H31 . . 119.9 no
    C30 C31 H31 . . 119.9 no
    C31 C32 H32 . . 119.8 no
    C33 C32 H32 . . 119.8 no
    C32 C33 H33 . . 120.2 no
    C34 C33 H33 . . 120.2 no
    C33 C34 H34 . . 119.7 no
    C29 C34 H34 . . 119.7 no
    Cl2 C36 H36a . . 109.0 no
    Cl1 C36 H36a . . 109.0 no
    Cl2 C36 H36b . . 109.0 no
    Cl1 C36 H36b . . 109.0 no
    H36a C36 H36b . . 107.8 no
    Cl3 C37 H37a . . 109.9 no
    Cl4 C37 H37a . . 109.9 no
    Cl3 C37 H37b . . 109.9 no
    Cl4 C37 H37b . . 109.9 no
    H37a C37 H37b . . 108.3 no
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N1 Cu1 S1 C35 7_656 . . . 22.6(2) no
    P1 Cu1 S1 C35 . . . . 152.10(10)
                                   no
    P2 Cu1 S1 C35 . . . . -81.30(10)
                                   no
    N1 Cu1 P1 C13 7_656 . . . -106.5(2) no
    P2 Cu1 P1 C13 . . . . 6.2(2) no
    S1 Cu1 P1 C13 . . . . 131.9(2) no
    N1 Cu1 P1 C1 7_656 . . . 132.0(2) no
    P2 Cu1 P1 C1 . . . . -115.2(2) no
    S1 Cu1 P1 C1 . . . . 10.5(2) no
    N1 Cu1 P1 C7 7_656 . . . 10.2(2) no
    P2 Cu1 P1 C7 . . . . 122.9(2) no
    S1 Cu1 P1 C7 . . . . -111.4(2) no
    N1 Cu1 P2 C22 7_656 . . . 82.9(2) no
    P1 Cu1 P2 C22 . . . . -42.10(10)
                                   no
    S1 Cu1 P2 C22 . . . . -169.30(10)
                                    no
    N1 Cu1 P2 C23 7_656 . . . -31.7(2) no
    P1 Cu1 P2 C23 . . . . -156.80(10)
                                    no
    S1 Cu1 P2 C23 . . . . 76.0(2) no
    N1 Cu1 P2 C29 7_656 . . . -158.2(2) no
    P1 Cu1 P2 C29 . . . . 76.8(2) no
    S1 Cu1 P2 C29 . . . . -50.5(2) no
    C13 P1 C1 C2 . . . . 6.2(4) no
    C7 P1 C1 C2 . . . . -96.3(4) no
    Cu1 P1 C1 C2 . . . . 133.5(3) no
    C13 P1 C1 C6 . . . . -173.8(3) no
    C7 P1 C1 C6 . . . . 83.7(3) no
    Cu1 P1 C1 C6 . . . . -46.4(3) no
    C6 C1 C2 C3 . . . . -0.6(6) no
    P1 C1 C2 C3 . . . . 179.5(3) no
    C1 C2 C3 C4 . . . . 0.1(7) no
    C2 C3 C4 C5 . . . . -0.3(7) no
    C3 C4 C5 C6 . . . . 1.0(7) no
    C4 C5 C6 C1 . . . . -1.5(7) no
    C2 C1 C6 C5 . . . . 1.2(6) no
    P1 C1 C6 C5 . . . . -178.8(3) no
    C13 P1 C7 C12 . . . . 115.4(3) no
    C1 P1 C7 C12 . . . . -138.5(3) no
    Cu1 P1 C7 C12 . . . . -9.6(4) no
    C13 P1 C7 C8 . . . . -61.4(4) no
    C1 P1 C7 C8 . . . . 44.7(4) no
    Cu1 P1 C7 C8 . . . . 173.6(3) no
    C12 C7 C8 C9 . . . . -1.8(7) no
    P1 C7 C8 C9 . . . . 175.1(4) no
    C7 C8 C9 C10 . . . . 1.3(7) no
    C8 C9 C10 C11 . . . . 0.6(8) no
    C9 C10 C11 C12 . . . . -2.0(8) no
    C8 C7 C12 C11 . . . . 0.4(6) no
    P1 C7 C12 C11 . . . . -176.5(4) no
    C10 C11 C12 C7 . . . . 1.5(7) no
    C1 P1 C13 C17 . . . . -116.8(4) no
    C7 P1 C13 C17 . . . . -12.1(4) no
    Cu1 P1 C13 C17 . . . . 115.1(3) no
    C1 P1 C13 C14 . . . . 66.7(4) no
    C7 P1 C13 C14 . . . . 171.4(3) no
    Cu1 P1 C13 C14 . . . . -61.4(4) no
    C1 P1 C13 Fe1 . . . . 154.2(2) no
    C7 P1 C13 Fe1 . . . . -101.1(3) no
    Cu1 P1 C13 Fe1 . . . . 26.1(3) no
    C16 Fe1 C13 C17 . . . . 37.9(3) no
    C22 Fe1 C13 C17 . . . . -145.8(2) no
    C18 Fe1 C13 C17 . . . . 177.5(3) no
    C21 Fe1 C13 C17 . . . . -101.5(3) no
    C14 Fe1 C13 C17 . . . . 118.9(3) no
    C20 Fe1 C13 C17 . . . . -62.7(3) no
    C15 Fe1 C13 C17 . . . . 81.5(3) no
    C16 Fe1 C13 C14 . . . . -80.9(3) no
    C22 Fe1 C13 C14 . . . . 95.4(3) no
    C17 Fe1 C13 C14 . . . . -118.9(3) no
    C18 Fe1 C13 C14 . . . . 58.6(4) no
    C21 Fe1 C13 C14 . . . . 139.7(2) no
    C20 Fe1 C13 C14 . . . . 178.4(3) no
    C15 Fe1 C13 C14 . . . . -37.4(3) no
    C16 Fe1 C13 P1 . . . . 160.4(3) no
    C22 Fe1 C13 P1 . . . . -23.3(3) no
    C17 Fe1 C13 P1 . . . . 122.5(4) no
    C18 Fe1 C13 P1 . . . . -60.0(4) no
    C21 Fe1 C13 P1 . . . . 21.0(3) no
    C14 Fe1 C13 P1 . . . . -118.7(4) no
    C20 Fe1 C13 P1 . . . . 59.8(4) no
    C15 Fe1 C13 P1 . . . . -156.0(3) no
    C17 C13 C14 C15 . . . . 1.3(5) no
    P1 C13 C14 C15 . . . . 178.4(3) no
    Fe1 C13 C14 C15 . . . . 60.2(3) no
    C17 C13 C14 Fe1 . . . . -58.9(3) no
    P1 C13 C14 Fe1 . . . . 118.2(3) no
    C16 Fe1 C14 C15 . . . . -36.9(3) no
    C22 Fe1 C14 C15 . . . . 138.6(3) no
    C17 Fe1 C14 C15 . . . . -81.1(3) no
    C18 Fe1 C14 C15 . . . . 94.1(3) no
    C21 Fe1 C14 C15 . . . . 178.2(3) no
    C13 Fe1 C14 C15 . . . . -119.1(4) no
    C19 Fe1 C14 C15 . . . . 56.4(4) no
    C16 Fe1 C14 C13 . . . . 82.1(3) no
    C22 Fe1 C14 C13 . . . . -102.3(3) no
    C17 Fe1 C14 C13 . . . . 37.9(2) no
    C18 Fe1 C14 C13 . . . . -146.8(2) no
    C21 Fe1 C14 C13 . . . . -62.7(3) no
    C19 Fe1 C14 C13 . . . . 175.4(3) no
    C15 Fe1 C14 C13 . . . . 119.1(4) no
    C13 C14 C15 C16 . . . . -2.1(5) no
    Fe1 C14 C15 C16 . . . . 57.3(3) no
    C13 C14 C15 Fe1 . . . . -59.4(3) no
    C16 Fe1 C15 C14 . . . . 120.5(4) no
    C22 Fe1 C15 C14 . . . . -63.8(3) no
    C17 Fe1 C15 C14 . . . . 82.3(3) no
    C18 Fe1 C15 C14 . . . . -103.4(3) no
    C13 Fe1 C15 C14 . . . . 38.2(2) no
    C19 Fe1 C15 C14 . . . . -147.2(3) no
    C20 Fe1 C15 C14 . . . . 175.6(3) no
    C22 Fe1 C15 C16 . . . . 175.7(3) no
    C17 Fe1 C15 C16 . . . . -38.2(3) no
    C18 Fe1 C15 C16 . . . . 136.1(3) no
    C13 Fe1 C15 C16 . . . . -82.3(3) no
    C14 Fe1 C15 C16 . . . . -120.5(4) no
    C19 Fe1 C15 C16 . . . . 92.3(3) no
    C20 Fe1 C15 C16 . . . . 55.1(4) no
    C14 C15 C16 C17 . . . . 2.1(5) no
    Fe1 C15 C16 C17 . . . . 60.0(3) no
    C14 C15 C16 Fe1 . . . . -57.9(3) no
    C17 Fe1 C16 C15 . . . . 118.9(4) no
    C18 Fe1 C16 C15 . . . . -66.4(4) no
    C21 Fe1 C16 C15 . . . . 176.7(3) no
    C13 Fe1 C16 C15 . . . . 81.1(3) no
    C14 Fe1 C16 C15 . . . . 36.7(3) no
    C19 Fe1 C16 C15 . . . . -104.2(3) no
    C20 Fe1 C16 C15 . . . . -147.3(3) no
    C18 Fe1 C16 C17 . . . . 174.6(3) no
    C21 Fe1 C16 C17 . . . . 57.8(4) no
    C13 Fe1 C16 C17 . . . . -37.8(3) no
    C14 Fe1 C16 C17 . . . . -82.2(3) no
    C19 Fe1 C16 C17 . . . . 136.9(3) no
    C20 Fe1 C16 C17 . . . . 93.8(3) no
    C15 Fe1 C16 C17 . . . . -118.9(4) no
    C15 C16 C17 C13 . . . . -1.3(5) no
    Fe1 C16 C17 C13 . . . . 59.8(3) no
    C15 C16 C17 Fe1 . . . . -61.0(3) no
    C14 C13 C17 C16 . . . . 0.0(5) no
    P1 C13 C17 C16 . . . . -177.0(3) no
    Fe1 C13 C17 C16 . . . . -59.2(3) no
    C14 C13 C17 Fe1 . . . . 59.2(3) no
    P1 C13 C17 Fe1 . . . . -117.7(3) no
    C22 Fe1 C17 C16 . . . . 178.0(3) no
    C21 Fe1 C17 C16 . . . . -145.8(3) no
    C13 Fe1 C17 C16 . . . . 119.1(4) no
    C14 Fe1 C17 C16 . . . . 80.9(3) no
    C19 Fe1 C17 C16 . . . . -64.7(4) no
    C20 Fe1 C17 C16 . . . . -102.4(3) no
    C15 Fe1 C17 C16 . . . . 37.6(3) no
    C16 Fe1 C17 C13 . . . . -119.1(4) no
    C22 Fe1 C17 C13 . . . . 58.9(4) no
    C21 Fe1 C17 C13 . . . . 95.1(3) no
    C14 Fe1 C17 C13 . . . . -38.2(2) no
    C19 Fe1 C17 C13 . . . . 176.2(2) no
    C20 Fe1 C17 C13 . . . . 138.5(2) no
    C15 Fe1 C17 C13 . . . . -81.5(3) no
    C16 Fe1 C18 C19 . . . . -62.8(4) no
    C22 Fe1 C18 C19 . . . . 119.6(3) no
    C21 Fe1 C18 C19 . . . . 81.1(3) no
    C13 Fe1 C18 C19 . . . . 176.1(3) no
    C14 Fe1 C18 C19 . . . . -145.8(2) no
    C20 Fe1 C18 C19 . . . . 37.3(2) no
    C15 Fe1 C18 C19 . . . . -102.3(3) no
    C16 Fe1 C18 C22 . . . . 177.6(3) no
    C21 Fe1 C18 C22 . . . . -38.4(2) no
    C13 Fe1 C18 C22 . . . . 56.6(4) no
    C14 Fe1 C18 C22 . . . . 94.6(3) no
    C19 Fe1 C18 C22 . . . . -119.6(3) no
    C20 Fe1 C18 C22 . . . . -82.3(3) no
    C15 Fe1 C18 C22 . . . . 138.1(3) no
    C22 C18 C19 C20 . . . . -0.7(5) no
    Fe1 C18 C19 C20 . . . . -59.6(3) no
    C22 C18 C19 Fe1 . . . . 58.9(3) no
    C16 Fe1 C19 C18 . . . . 138.3(3) no
    C22 Fe1 C19 C18 . . . . -37.8(2) no
    C17 Fe1 C19 C18 . . . . 177.2(2) no
    C21 Fe1 C19 C18 . . . . -82.1(2) no
    C14 Fe1 C19 C18 . . . . 59.1(4) no
    C20 Fe1 C19 C18 . . . . -119.6(3) no
    C15 Fe1 C19 C18 . . . . 95.0(3) no
    C16 Fe1 C19 C20 . . . . -102.1(3) no
    C22 Fe1 C19 C20 . . . . 81.8(3) no
    C17 Fe1 C19 C20 . . . . -63.2(3) no
    C18 Fe1 C19 C20 . . . . 119.6(3) no
    C21 Fe1 C19 C20 . . . . 37.5(2) no
    C14 Fe1 C19 C20 . . . . 178.8(3) no
    C15 Fe1 C19 C20 . . . . -145.4(3) no
    C18 C19 C20 C21 . . . . 0.7(5) no
    Fe1 C19 C20 C21 . . . . -58.3(3) no
    C18 C19 C20 Fe1 . . . . 58.9(3) no
    C16 Fe1 C20 C19 . . . . 93.9(3) no
    C22 Fe1 C20 C19 . . . . -81.8(3) no
    C17 Fe1 C20 C19 . . . . 137.7(2) no
    C18 Fe1 C20 C19 . . . . -37.5(2) no
    C21 Fe1 C20 C19 . . . . -119.7(4) no
    C13 Fe1 C20 C19 . . . . 175.6(2) no
    C15 Fe1 C20 C19 . . . . 58.8(4) no
    C16 Fe1 C20 C21 . . . . -146.4(3) no
    C22 Fe1 C20 C21 . . . . 38.0(2) no
    C17 Fe1 C20 C21 . . . . -102.6(3) no
    C18 Fe1 C20 C21 . . . . 82.3(3) no
    C13 Fe1 C20 C21 . . . . -64.7(3) no
    C19 Fe1 C20 C21 . . . . 119.7(4) no
    C15 Fe1 C20 C21 . . . . 178.5(3) no
    C19 C20 C21 C22 . . . . -0.4(5) no
    Fe1 C20 C21 C22 . . . . -59.0(3) no
    C19 C20 C21 Fe1 . . . . 58.6(3) no
    C16 Fe1 C21 C20 . . . . 56.5(4) no
    C22 Fe1 C21 C20 . . . . -119.3(4) no
    C17 Fe1 C21 C20 . . . . 93.4(3) no
    C18 Fe1 C21 C20 . . . . -80.9(3) no
    C13 Fe1 C21 C20 . . . . 137.3(3) no
    C14 Fe1 C21 C20 . . . . 175.8(3) no
    C19 Fe1 C21 C20 . . . . -37.2(3) no
    C16 Fe1 C21 C22 . . . . 175.8(3) no
    C17 Fe1 C21 C22 . . . . -147.3(2) no
    C18 Fe1 C21 C22 . . . . 38.4(2) no
    C13 Fe1 C21 C22 . . . . -103.4(3) no
    C14 Fe1 C21 C22 . . . . -64.9(3) no
    C19 Fe1 C21 C22 . . . . 82.1(3) no
    C20 Fe1 C21 C22 . . . . 119.3(4) no
    C19 C18 C22 C21 . . . . 0.5(4) no
    Fe1 C18 C22 C21 . . . . 60.0(3) no
    C19 C18 C22 P2 . . . . -176.6(3) no
    Fe1 C18 C22 P2 . . . . -117.0(3) no
    C19 C18 C22 Fe1 . . . . -59.5(3) no
    C20 C21 C22 C18 . . . . -0.1(4) no
    Fe1 C21 C22 C18 . . . . -60.0(3) no
    C20 C21 C22 P2 . . . . 177.3(3) no
    Fe1 C21 C22 P2 . . . . 117.3(3) no
    C20 C21 C22 Fe1 . . . . 59.9(3) no
    C23 P2 C22 C18 . . . . -94.3(4) no
    C29 P2 C22 C18 . . . . 13.5(4) no
    Cu1 P2 C22 C18 . . . . 142.0(3) no
    C23 P2 C22 C21 . . . . 89.0(3) no
    C29 P2 C22 C21 . . . . -163.2(3) no
    Cu1 P2 C22 C21 . . . . -34.7(3) no
    C23 P2 C22 Fe1 . . . . 174.8(2) no
    C29 P2 C22 Fe1 . . . . -77.4(3) no
    Cu1 P2 C22 Fe1 . . . . 51.1(2) no
    C17 Fe1 C22 C18 . . . . 174.4(3) no
    C21 Fe1 C22 C18 . . . . 118.3(3) no
    C13 Fe1 C22 C18 . . . . -147.9(2) no
    C14 Fe1 C22 C18 . . . . -103.3(2) no
    C19 Fe1 C22 C18 . . . . 37.3(2) no
    C20 Fe1 C22 C18 . . . . 80.7(3) no
    C15 Fe1 C22 C18 . . . . -65.0(3) no
    C17 Fe1 C22 C21 . . . . 56.2(4) no
    C18 Fe1 C22 C21 . . . . -118.3(3) no
    C13 Fe1 C22 C21 . . . . 93.8(3) no
    C14 Fe1 C22 C21 . . . . 138.4(2) no
    C19 Fe1 C22 C21 . . . . -81.0(3) no
    C20 Fe1 C22 C21 . . . . -37.5(2) no
    C15 Fe1 C22 C21 . . . . 176.7(3) no
    C16 Fe1 C22 P2 . . . . 102(3) no
    C17 Fe1 C22 P2 . . . . -59.8(4) no
    C18 Fe1 C22 P2 . . . . 125.7(4) no
    C21 Fe1 C22 P2 . . . . -116.0(3) no
    C13 Fe1 C22 P2 . . . . -22.1(3) no
    C14 Fe1 C22 P2 . . . . 22.4(3) no
    C19 Fe1 C22 P2 . . . . 163.1(3) no
    C20 Fe1 C22 P2 . . . . -153.5(3) no
    C15 Fe1 C22 P2 . . . . 60.7(3) no
    C22 P2 C23 C24 . . . . 4.1(4) no
    C29 P2 C23 C24 . . . . -103.8(4) no
    Cu1 P2 C23 C24 . . . . 122.1(4) no
    C22 P2 C23 C28 . . . . -173.0(3) no
    C29 P2 C23 C28 . . . . 79.0(3) no
    Cu1 P2 C23 C28 . . . . -55.1(3) no
    C28 C23 C24 C25 . . . . 0.6(7) no
    P2 C23 C24 C25 . . . . -176.5(4) no
    C23 C24 C25 C26 . . . . -0.9(8) no
    C24 C25 C26 C27 . . . . 0.9(7) no
    C25 C26 C27 C28 . . . . -0.5(7) no
    C26 C27 C28 C23 . . . . 0.1(6) no
    C24 C23 C28 C27 . . . . -0.1(6) no
    P2 C23 C28 C27 . . . . 177.1(3) no
    C22 P2 C29 C30 . . . . -67.3(4) no
    C23 P2 C29 C30 . . . . 39.4(4) no
    Cu1 P2 C29 C30 . . . . 171.6(3) no
    C22 P2 C29 C34 . . . . 112.1(3) no
    C23 P2 C29 C34 . . . . -141.2(3) no
    Cu1 P2 C29 C34 . . . . -9.0(4) no
    C34 C29 C30 C31 . . . . -2.2(6) no
    P2 C29 C30 C31 . . . . 177.2(3) no
    C29 C30 C31 C32 . . . . 0.6(6) no
    C30 C31 C32 C33 . . . . 0.8(7) no
    C31 C32 C33 C34 . . . . -0.5(7) no
    C32 C33 C34 C29 . . . . -1.2(6) no
    C30 C29 C34 C33 . . . . 2.5(6) no
    P2 C29 C34 C33 . . . . -176.9(3) no
data_sqz
_journal_data_validation_number     ?
_journal_date_recd_electronic     2004-06-01
_journal_date_accepted     2004-06-07
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2004
_journal_volume     60
_journal_issue      7
_journal_page_first     m927
_journal_page_last     m929
_journal_paper_category     EM
_publ_contact_author_name
;
 Prof. Dan Li
;
_publ_contact_author_address
;
 Department of Chemistry
 Shantou University
 Shantou
 Guangdong 515063
 People's Republic of China
;
_publ_contact_author_email     dli@stu.edu.cn
_publ_contact_author_fax     '+86 754 2510505'
_publ_contact_author_phone     '+86 754 2903154'
_publ_section_title
;
 Bis[1,1'-bis(diphenylphosphino)ferrocenethiocyanatocopper(I)]
 dichloromethane disolvate
;
loop_
    _publ_author_name
    _publ_author_address
    'Li, Dan'
;
     Department of Chemistry
     Shantou University,Shantou
     Guangdong 515063
     People's Republic of China
;
    'Luo, Ya-Fang'
;
     Department of Chemistry
     Shantou University,Shantou
     Guangdong 515063
     People's Republic of China
;
    'Wu, Tao'
;
     Department of Chemistry
     Shantou University,Shantou
     Guangdong 515063
     People's Republic of China
;
    'Ng, Seik Weng'
;
     Department of Chemistry
     University of Malaya
     50603 Kuala Lumpur
     Malaysia
;
