##############################################################################
#                                                                            #
# 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 Acta Crystallographica 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.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
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data_global
_audit_creation_method     'by CrystalStructure 4.2'
_journal_date_recd_electronic     2017-05-31
_journal_date_accepted     2017-06-23
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2017
_journal_volume     73
_journal_issue      8
_journal_page_first     1105
_journal_page_last     1107
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989017009380
_journal_coeditor_code     IM2478
_publ_contact_author_name     'Tsubomura Taro'
_publ_contact_author_address
;
Department of Materials and Life Science,
Kichijoji-Kitamachi, Musashino, Tokyo Japan
;
_publ_contact_author_email     'tsubomura@st.seikei.ac.jp'
_publ_contact_author_phone     '+81-422-37-3752'
_publ_section_title
;\
Crystal structure of
[N,N-bis(diphenylphosphorothioyl)amidato-κ²S,\
S']bis(triphenylphosphane-κP)copper(I) dichloromethane
monosolvate
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_address
    'Nishi, Tatsuya'
;
Department of Materials and Life Science
Seikei University
3-3-1 Kichijoji-kitamachi, Musashino-shi, Tokyo, Japan
;
    'Tsukuda, Toshiaki'
;
Faculty of Education and Human Science, University of Yamanashi, 4-4-37, Takeda,
Kofu, Yamanashi, Japan
;
    'Nishikawa, Michihiro'
;
Department of Materials and Life Science
Seikei University
3-3-1 Kichijoji-kitamachi, Musashino-shi, Tokyo, Japan
;
    'Tsubomura, Taro'
;
Department of Materials and Life Science
Seikei University
3-3-1 Kichijoji-kitamachi, Musashino-shi, Tokyo, Japan
;
_publ_section_synopsis
;
The title compound, [Cu(dppaS₂)(PPh₃)₂], is a neutral mononuclear
copper(I) complex bearing an
N,N-bis(diphenylphosphorothioyl)amidate (dppaS₂⁻) ligand and
two triphenylphosphane ligands. The structure of this complex was obtained by
X-ray diffraction and supported by DFT calculations.
;
data_I
_chemical_name_systematic
;
[N,N-bis(diphenylphosphorothioyl)amidato-\
κ²S,S']bis(triphenylphosphane-κP)copper(I)
dichloromethane monosolvate
;
_chemical_formula_moiety     'C60 H50 Cu N P4 S2, C H2 Cl2'
_chemical_formula_sum     'C61 H52 Cl2 Cu N P4 S2'
_chemical_formula_iupac     '[Cu (C24 H20 N P2 S2) (C18 H15 P)2], C H2 Cl2'
_chemical_formula_weight     1121.56
_chemical_melting_point     ?
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_id
    _space_group_symop_operation_xyz
    1 '+X,+Y,+Z'
    2 '-X,-Y,-Z'
_cell_length_a     10.610(3)
_cell_length_b     12.929(3)
_cell_length_c     21.782(5)
_cell_angle_alpha     80.450(8)
_cell_angle_beta     80.644(8)
_cell_angle_gamma     67.642(7)
_cell_volume     2708.8(12)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     6125
_cell_measurement_theta_min     3.15
_cell_measurement_theta_max     27.48
_cell_measurement_temperature     123
_exptl_crystal_description     prism
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.500
_exptl_crystal_size_mid     0.400
_exptl_crystal_size_min     0.400
_exptl_crystal_density_diffrn     1.375
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1160.00
_exptl_absorpt_coefficient_mu     0.738
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details
;
(NUMABS; Rigaku, 1999)
;
_exptl_absorpt_correction_T_min     0.821
_exptl_absorpt_correction_T_max     0.863
_diffrn_ambient_temperature     123
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type     'Rigaku Saturn70'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     29.257
_diffrn_reflns_number     24835
_diffrn_reflns_av_R_equivalents     0.0419
_diffrn_reflns_theta_min     3.147
_diffrn_reflns_theta_max     27.470
_diffrn_reflns_theta_full     25.000
_diffrn_measured_fraction_theta_max     0.918
_diffrn_measured_fraction_theta_full     0.961
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_k_max     16
_diffrn_reflns_limit_l_min     -28
_diffrn_reflns_limit_l_max     28
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
    Refinement was performed using all reflections. The weighted
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total     11403
_reflns_number_gt     9450
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_R_factor_all     0.0590
_refine_ls_R_factor_gt     0.0485
_refine_ls_wR_factor_gt     0.1432
_refine_ls_wR_factor_ref     0.1523
_refine_ls_goodness_of_fit_ref     0.820
_refine_ls_number_reflns     11403
_refine_ls_number_parameters     640
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
            'w = 1/[σ²(Fo²)+(0.1058P)²+7.3130P] 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_diff_density_max     1.10
_refine_diff_density_min     -0.46
_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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'H' 'H' 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
    'Cl' 'Cl' 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'Cu' 'Cu' 0.3201 1.2651
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'N' 'N' 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'P' 'P' 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'S' 'S' 0.1246 0.1234
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
_computing_data_collection
;
CrystalClear (Rigaku, 2000)
;
_computing_cell_refinement
;
CrystalClear (Rigaku, 2000)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2000)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1993)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2006)
;
_computing_publication_material
;
CrystalStructure (Rigaku, 2015)
;
loop_
    _atom_site_type_symbol
    _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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cu Cu1 0.76468(4) 0.25233(3) 0.284204(15) 0.01466(11) Uani d . 1 1 . .
    Cl Cl70 0.85178(13) -0.23334(11) 0.21386(6) 0.0590(3) Uani d . 1 1 . .
    Cl Cl71 0.58013(13) -0.20717(10) 0.27758(5) 0.0551(3) Uani d . 1 1 . .
    S S2 0.80813(8) 0.39124(6) 0.20945(3) 0.01882(16) Uani d . 1 1 . .
    S S3 0.62471(8) 0.16942(6) 0.25477(3) 0.01728(16) Uani d . 1 1 . .
    P P4 0.96915(8) 0.10274(6) 0.29819(3) 0.01554(16) Uani d . 1 1 . .
    P P5 0.64070(8) 0.35492(6) 0.36493(3) 0.01494(16) Uani d . 1 1 . .
    P P6 0.74273(7) 0.38722(6) 0.12949(3) 0.01317(15) Uani d . 1 1 . .
    P P7 0.57225(7) 0.24508(6) 0.16971(3) 0.01315(15) Uani d . 1 1 . .
    N N8 0.6625(3) 0.3073(2) 0.12584(11) 0.0159(5) Uani d . 1 1 . .
    C C9 1.1108(3) 0.1251(3) 0.32436(13) 0.0190(6) Uani d . 1 1 . .
    C C10 1.0813(3) 0.2140(3) 0.35943(14) 0.0229(6) Uani d . 1 1 . .
    H H10 0.9892 0.2639 0.3669 0.027 Uiso calc R 1 1 . .
    C C11 1.1849(4) 0.2305(3) 0.38359(16) 0.0287(7) Uani d . 1 1 . .
    H H11 1.1634 0.2920 0.4070 0.034 Uiso calc R 1 1 . .
    C C12 1.3195(4) 0.1574(3) 0.37344(16) 0.0302(8) Uani d . 1 1 . .
    H H12 1.3902 0.1683 0.3902 0.036 Uiso calc R 1 1 . .
    C C13 1.3509(3) 0.0681(3) 0.33867(16) 0.0278(7) Uani d . 1 1 . .
    H H13 1.4431 0.0180 0.3317 0.033 Uiso calc R 1 1 . .
    C C14 1.2479(3) 0.0519(3) 0.31409(15) 0.0239(7) Uani d . 1 1 . .
    H H14 1.2702 -0.0091 0.2902 0.029 Uiso calc R 1 1 . .
    C C15 0.9526(3) -0.0154(2) 0.35433(14) 0.0189(6) Uani d . 1 1 . .
    C C16 1.0157(3) -0.0502(3) 0.40937(15) 0.0236(7) Uani d . 1 1 . .
    H H16 1.0770 -0.0173 0.4172 0.028 Uiso calc R 1 1 . .
    C C17 0.9886(4) -0.1336(3) 0.45308(16) 0.0321(8) Uani d . 1 1 . .
    H H17 1.0306 -0.1564 0.4909 0.038 Uiso calc R 1 1 . .
    C C18 0.9015(4) -0.1828(3) 0.44165(17) 0.0324(8) Uani d . 1 1 . .
    H H18 0.8839 -0.2396 0.4715 0.039 Uiso calc R 1 1 . .
    C C19 0.8395(4) -0.1496(3) 0.38663(17) 0.0292(7) Uani d . 1 1 . .
    H H19 0.7804 -0.1841 0.3784 0.035 Uiso calc R 1 1 . .
    C C20 0.8645(3) -0.0654(3) 0.34365(15) 0.0238(7) Uani d . 1 1 . .
    H H20 0.8205 -0.0417 0.3064 0.029 Uiso calc R 1 1 . .
    C C21 1.0443(3) 0.0385(3) 0.22537(14) 0.0195(6) Uani d . 1 1 . .
    C C22 1.0856(5) -0.0754(3) 0.22047(19) 0.0429(10) Uani d . 1 1 . .
    H H22 1.0819 -0.1262 0.2570 0.052 Uiso calc R 1 1 . .
    C C23 1.1329(5) -0.1163(4) 0.1620(2) 0.0527(13) Uani d . 1 1 . .
    H H23 1.1600 -0.1945 0.1591 0.063 Uiso calc R 1 1 . .
    C C24 1.1400(4) -0.0438(4) 0.10906(18) 0.0391(9) Uani d . 1 1 . .
    H H24 1.1696 -0.0713 0.0693 0.047 Uiso calc R 1 1 . .
    C C25 1.1041(4) 0.0690(3) 0.11369(16) 0.0368(9) Uani d . 1 1 . .
    H H25 1.1126 0.1188 0.0773 0.044 Uiso calc R 1 1 . .
    C C26 1.0556(4) 0.1104(3) 0.17139(15) 0.0292(8) Uani d . 1 1 . .
    H H26 1.0298 0.1886 0.1740 0.035 Uiso calc R 1 1 . .
    C C27 0.4811(3) 0.4736(3) 0.35029(13) 0.0196(6) Uani d . 1 1 . .
    C C28 0.3841(4) 0.4530(3) 0.32282(17) 0.0310(8) Uani d . 1 1 . .
    H H28 0.4056 0.3815 0.3092 0.037 Uiso calc R 1 1 . .
    C C29 0.2562(4) 0.5366(4) 0.31530(19) 0.0416(10) Uani d . 1 1 . .
    H H29 0.1905 0.5219 0.2968 0.050 Uiso calc R 1 1 . .
    C C30 0.2244(4) 0.6412(3) 0.33470(18) 0.0371(9) Uani d . 1 1 . .
    H H30 0.1371 0.6982 0.3294 0.045 Uiso calc R 1 1 . .
    C C31 0.3199(4) 0.6625(3) 0.36169(18) 0.0343(8) Uani d . 1 1 . .
    H H31 0.2982 0.7345 0.3747 0.041 Uiso calc R 1 1 . .
    C C32 0.4474(4) 0.5792(3) 0.36994(17) 0.0271(7) Uani d . 1 1 . .
    H H32 0.5120 0.5941 0.3891 0.032 Uiso calc R 1 1 . .
    C C33 0.7372(3) 0.4213(2) 0.39628(14) 0.0179(6) Uani d . 1 1 . .
    C C34 0.7933(3) 0.4906(3) 0.35449(15) 0.0226(6) Uani d . 1 1 . .
    H H34 0.7762 0.5051 0.3118 0.027 Uiso calc R 1 1 . .
    C C35 0.8738(3) 0.5382(3) 0.37471(17) 0.0280(7) Uani d . 1 1 . .
    H H35 0.9120 0.5851 0.3460 0.034 Uiso calc R 1 1 . .
    C C36 0.8987(4) 0.5173(3) 0.43712(19) 0.0340(8) Uani d . 1 1 . .
    H H36 0.9545 0.5497 0.4509 0.041 Uiso calc R 1 1 . .
    C C37 0.8428(4) 0.4497(3) 0.47931(18) 0.0329(8) Uani d . 1 1 . .
    H H37 0.8591 0.4366 0.5220 0.039 Uiso calc R 1 1 . .
    C C38 0.7625(3) 0.4009(3) 0.45910(15) 0.0244(7) Uani d . 1 1 . .
    H H38 0.7250 0.3537 0.4880 0.029 Uiso calc R 1 1 . .
    C C39 0.5844(3) 0.2747(3) 0.43368(13) 0.0182(6) Uani d . 1 1 . .
    C C40 0.4726(4) 0.3246(3) 0.47633(15) 0.0248(7) Uani d . 1 1 . .
    H H40 0.4221 0.4032 0.4701 0.030 Uiso calc R 1 1 . .
    C C41 0.4348(4) 0.2593(3) 0.52796(16) 0.0308(8) Uani d . 1 1 . .
    H H41 0.3588 0.2938 0.5569 0.037 Uiso calc R 1 1 . .
    C C42 0.5062(4) 0.1453(3) 0.53751(17) 0.0356(9) Uani d . 1 1 . .
    H H42 0.4792 0.1013 0.5728 0.043 Uiso calc R 1 1 . .
    C C43 0.6176(4) 0.0947(3) 0.49559(19) 0.0437(11) Uani d . 1 1 . .
    H H43 0.6681 0.0161 0.5022 0.052 Uiso calc R 1 1 . .
    C C44 0.6552(4) 0.1599(3) 0.44364(17) 0.0323(8) Uani d . 1 1 . .
    H H44 0.7307 0.1249 0.4146 0.039 Uiso calc R 1 1 . .
    C C45 0.6382(3) 0.5305(2) 0.10170(14) 0.0169(6) Uani d . 1 1 . .
    C C46 0.6032(3) 0.5538(3) 0.04012(14) 0.0204(6) Uani d . 1 1 . .
    H H46 0.6394 0.4961 0.0132 0.024 Uiso calc R 1 1 . .
    C C47 0.5162(3) 0.6605(3) 0.01796(16) 0.0252(7) Uani d . 1 1 . .
    H H47 0.4925 0.6752 -0.0237 0.030 Uiso calc R 1 1 . .
    C C48 0.4647(4) 0.7446(3) 0.05696(19) 0.0333(8) Uani d . 1 1 . .
    H H48 0.4068 0.8179 0.0419 0.040 Uiso calc R 1 1 . .
    C C49 0.4970(4) 0.7226(3) 0.11759(19) 0.0377(9) Uani d . 1 1 . .
    H H49 0.4600 0.7808 0.1442 0.045 Uiso calc R 1 1 . .
    C C50 0.5829(4) 0.6165(3) 0.14057(17) 0.0281(7) Uani d . 1 1 . .
    H H50 0.6040 0.6025 0.1826 0.034 Uiso calc R 1 1 . .
    C C51 0.8854(3) 0.3508(2) 0.06807(13) 0.0168(6) Uani d . 1 1 . .
    C C52 0.8794(3) 0.2986(3) 0.01793(14) 0.0238(7) Uani d . 1 1 . .
    H H52 0.8032 0.2776 0.0170 0.029 Uiso calc R 1 1 . .
    C C53 0.9859(4) 0.2774(3) -0.03074(15) 0.0325(8) Uani d . 1 1 . .
    H H53 0.9819 0.2422 -0.0650 0.039 Uiso calc R 1 1 . .
    C C54 1.0976(4) 0.3076(3) -0.02928(17) 0.0380(10) Uani d . 1 1 . .
    H H54 1.1694 0.2938 -0.0627 0.046 Uiso calc R 1 1 . .
    C C55 1.1041(4) 0.3575(3) 0.0205(2) 0.0377(9) Uani d . 1 1 . .
    H H55 1.1815 0.3768 0.0218 0.045 Uiso calc R 1 1 . .
    C C56 0.9978(3) 0.3798(3) 0.06922(17) 0.0275(7) Uani d . 1 1 . .
    H H56 1.0025 0.4151 0.1033 0.033 Uiso calc R 1 1 . .
    C C57 0.3936(3) 0.3388(2) 0.17572(13) 0.0155(5) Uani d . 1 1 . .
    C C58 0.3555(3) 0.4422(3) 0.13879(15) 0.0210(6) Uani d . 1 1 . .
    H H58 0.4230 0.4632 0.1112 0.025 Uiso calc R 1 1 . .
    C C59 0.2185(3) 0.5153(3) 0.14200(17) 0.0271(7) Uani d . 1 1 . .
    H H59 0.1934 0.5864 0.1173 0.033 Uiso calc R 1 1 . .
    C C60 0.1201(3) 0.4842(3) 0.18100(16) 0.0259(7) Uani d . 1 1 . .
    H H60 0.0268 0.5333 0.1826 0.031 Uiso calc R 1 1 . .
    C C61 0.1564(3) 0.3817(3) 0.21796(15) 0.0248(7) Uani d . 1 1 . .
    H H61 0.0880 0.3606 0.2447 0.030 Uiso calc R 1 1 . .
    C C62 0.2930(3) 0.3093(3) 0.21607(14) 0.0219(6) Uani d . 1 1 . .
    H H62 0.3178 0.2398 0.2423 0.026 Uiso calc R 1 1 . .
    C C63 0.5829(3) 0.1341(2) 0.12530(13) 0.0169(6) Uani d . 1 1 . .
    C C64 0.4714(3) 0.1058(3) 0.12004(15) 0.0224(6) Uani d . 1 1 . .
    H H64 0.3829 0.1468 0.1390 0.027 Uiso calc R 1 1 . .
    C C65 0.4902(4) 0.0167(3) 0.08673(17) 0.0279(7) Uani d . 1 1 . .
    H H65 0.4141 -0.0027 0.0832 0.033 Uiso calc R 1 1 . .
    C C66 0.6187(4) -0.0436(3) 0.05883(15) 0.0276(7) Uani d . 1 1 . .
    H H66 0.6307 -0.1041 0.0362 0.033 Uiso calc R 1 1 . .
    C C67 0.7296(4) -0.0155(3) 0.06404(15) 0.0258(7) Uani d . 1 1 . .
    H H67 0.8179 -0.0569 0.0450 0.031 Uiso calc R 1 1 . .
    C C68 0.7123(3) 0.0732(3) 0.09719(15) 0.0230(6) Uani d . 1 1 . .
    H H68 0.7888 0.0922 0.1006 0.028 Uiso calc R 1 1 . .
    C C69 0.6779(5) -0.1451(4) 0.22122(19) 0.0423(10) Uani d . 1 1 . .
    H H69A 0.6417 -0.1301 0.1802 0.051 Uiso calc R 1 1 . .
    H H69B 0.6693 -0.0723 0.2337 0.051 Uiso calc R 1 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
    C10 H10 . 0.9500 ?
    C10 C11 . 1.391(5) ?
    C11 H11 . 0.9500 ?
    C11 C12 . 1.387(5) ?
    C12 H12 . 0.9500 ?
    C12 C13 . 1.391(5) ?
    C13 H13 . 0.9500 ?
    C13 C14 . 1.388(5) ?
    C14 H14 . 0.9500 ?
    C15 C20 . 1.389(5) ?
    C15 C16 . 1.393(4) ?
    C16 H16 . 0.9500 ?
    C16 C17 . 1.399(5) ?
    C17 H17 . 0.9500 ?
    C17 C18 . 1.377(6) ?
    C18 H18 . 0.9500 ?
    C18 C19 . 1.387(5) ?
    C19 H19 . 0.9500 ?
    C19 C20 . 1.390(4) ?
    C20 H20 . 0.9500 ?
    C21 C26 . 1.392(4) ?
    C21 C22 . 1.385(5) ?
    C22 H22 . 0.9500 ?
    C22 C23 . 1.403(5) ?
    C23 H23 . 0.9500 ?
    C23 C24 . 1.372(6) ?
    C24 H24 . 0.9500 ?
    C24 C25 . 1.377(6) ?
    C25 H25 . 0.9500 ?
    C25 C26 . 1.391(5) ?
    C26 H26 . 0.9500 ?
    C27 C32 . 1.396(4) ?
    C27 C28 . 1.396(5) ?
    C28 H28 . 0.9500 ?
    C28 C29 . 1.391(5) ?
    C29 H29 . 0.9500 ?
    C29 C30 . 1.385(6) ?
    C30 H30 . 0.9500 ?
    C30 C31 . 1.381(6) ?
    C31 H31 . 0.9500 ?
    C31 C32 . 1.389(5) ?
    C32 H32 . 0.9500 ?
    C33 C38 . 1.400(4) ?
    C33 C34 . 1.394(4) ?
    C34 H34 . 0.9500 ?
    C34 C35 . 1.384(4) ?
    C35 H35 . 0.9500 ?
    C35 C36 . 1.390(5) ?
    C36 H36 . 0.9500 ?
    C36 C37 . 1.382(5) ?
    C37 H37 . 0.9500 ?
    C37 C38 . 1.393(5) ?
    C38 H38 . 0.9500 ?
    C39 C44 . 1.382(5) ?
    C39 C40 . 1.395(4) ?
    C40 H40 . 0.9500 ?
    C40 C41 . 1.391(5) ?
    C41 H41 . 0.9500 ?
    C41 C42 . 1.375(5) ?
    C42 H42 . 0.9500 ?
    C42 C43 . 1.385(5) ?
    C43 H43 . 0.9500 ?
    C43 C44 . 1.394(5) ?
    C44 H44 . 0.9500 ?
    C45 C50 . 1.398(4) ?
    C45 C46 . 1.404(4) ?
    C46 H46 . 0.9500 ?
    C46 C47 . 1.394(4) ?
    C47 H47 . 0.9500 ?
    C47 C48 . 1.381(5) ?
    C48 H48 . 0.9500 ?
    C48 C49 . 1.375(5) ?
    C49 H49 . 0.9500 ?
    C49 C50 . 1.390(5) ?
    C50 H50 . 0.9500 ?
    C51 C56 . 1.384(4) ?
    C51 C52 . 1.397(4) ?
    C52 H52 . 0.9500 ?
    C52 C53 . 1.395(5) ?
    C53 H53 . 0.9500 ?
    C53 C54 . 1.387(6) ?
    C54 H54 . 0.9500 ?
    C54 C55 . 1.374(6) ?
    C55 H55 . 0.9500 ?
    C55 C56 . 1.395(5) ?
    C56 H56 . 0.9500 ?
    C57 C62 . 1.396(4) ?
    C57 C58 . 1.391(4) ?
    C58 H58 . 0.9500 ?
    C58 C59 . 1.398(4) ?
    C59 H59 . 0.9500 ?
    C59 C60 . 1.375(5) ?
    C60 H60 . 0.9500 ?
    C60 C61 . 1.382(5) ?
    C61 H61 . 0.9500 ?
    C61 C62 . 1.392(5) ?
    C62 H62 . 0.9500 ?
    C63 C68 . 1.395(4) ?
    C63 C64 . 1.390(4) ?
    C64 H64 . 0.9500 ?
    C64 C65 . 1.396(4) ?
    C65 H65 . 0.9500 ?
    C65 C66 . 1.384(5) ?
    C66 H66 . 0.9500 ?
    C66 C67 . 1.382(5) ?
    C67 H67 . 0.9500 ?
    C67 C68 . 1.394(4) ?
    C68 H68 . 0.9500 ?
    C69 H69B . 0.9900 ?
    C69 H69A . 0.9900 ?
    C9 C14 . 1.407(4) ?
    C9 C10 . 1.393(5) ?
    Cl70 C69 . 1.759(5) ?
    Cl71 C69 . 1.766(4) ?
    Cu1 S3 . 2.3484(9) yes
    Cu1 S2 . 2.3462(9) yes
    Cu1 P5 . 2.2969(9) yes
    Cu1 P4 . 2.3167(9) yes
    P4 C9 . 1.826(3) ?
    P4 C21 . 1.834(3) ?
    P4 C15 . 1.837(3) ?
    P5 C39 . 1.828(3) ?
    P5 C33 . 1.828(3) ?
    P5 C27 . 1.833(3) ?
    P6 N8 . 1.587(2) yes
    P6 C51 . 1.819(3) ?
    P6 C45 . 1.820(3) ?
    P7 N8 . 1.584(2) yes
    P7 C63 . 1.819(3) ?
    P7 C57 . 1.817(3) ?
    S2 P6 . 1.9920(11) yes
    S3 P7 . 2.0047(11) yes
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
    P5 Cu1 P4 . . 121.28(3) yes
    P5 Cu1 S2 . . 101.86(3) ?
    P4 Cu1 S2 . . 108.95(3) ?
    P5 Cu1 S3 . . 106.70(3) ?
    P4 Cu1 S3 . . 103.66(4) ?
    S2 Cu1 S3 . . 114.96(3) yes
    P6 S2 Cu1 . . 108.57(4) ?
    P7 S3 Cu1 . . 106.93(4) ?
    C9 P4 C21 . . 103.84(14) ?
    C9 P4 C15 . . 102.13(14) ?
    C21 P4 C15 . . 103.42(14) ?
    C9 P4 Cu1 . . 120.01(11) ?
    C21 P4 Cu1 . . 111.08(10) ?
    C15 P4 Cu1 . . 114.55(10) ?
    C39 P5 C33 . . 103.84(14) ?
    C39 P5 C27 . . 101.77(14) ?
    C33 P5 C27 . . 102.10(14) ?
    C39 P5 Cu1 . . 115.34(10) ?
    C33 P5 Cu1 . . 112.80(10) ?
    C27 P5 Cu1 . . 119.00(10) ?
    N8 P6 C51 . . 104.80(13) ?
    N8 P6 C45 . . 108.33(13) ?
    C51 P6 C45 . . 103.04(13) ?
    N8 P6 S2 . . 120.87(10) ?
    C51 P6 S2 . . 110.49(10) ?
    C45 P6 S2 . . 107.88(10) ?
    N8 P7 C57 . . 109.55(13) ?
    N8 P7 C63 . . 103.64(13) ?
    C57 P7 C63 . . 106.11(13) ?
    N8 P7 S3 . . 120.38(10) ?
    C57 P7 S3 . . 109.96(10) ?
    C63 P7 S3 . . 106.06(10) ?
    P7 N8 P6 . . 140.30(16) ?
    C10 C9 C14 . . 118.6(3) ?
    C10 C9 P4 . . 118.7(2) ?
    C14 C9 P4 . . 122.6(2) ?
    C11 C10 C9 . . 120.9(3) ?
    C11 C10 H10 . . 119.5 ?
    C9 C10 H10 . . 119.5 ?
    C10 C11 C12 . . 120.0(3) ?
    C10 C11 H11 . . 120.0 ?
    C12 C11 H11 . . 120.0 ?
    C13 C12 C11 . . 119.9(3) ?
    C13 C12 H12 . . 120.1 ?
    C11 C12 H12 . . 120.1 ?
    C12 C13 C14 . . 120.3(3) ?
    C12 C13 H13 . . 119.9 ?
    C14 C13 H13 . . 119.9 ?
    C13 C14 C9 . . 120.4(3) ?
    C13 C14 H14 . . 119.8 ?
    C9 C14 H14 . . 119.8 ?
    C20 C15 C16 . . 119.0(3) ?
    C20 C15 P4 . . 118.1(2) ?
    C16 C15 P4 . . 122.7(2) ?
    C15 C16 C17 . . 119.9(3) ?
    C15 C16 H16 . . 120.1 ?
    C17 C16 H16 . . 120.1 ?
    C18 C17 C16 . . 120.4(3) ?
    C18 C17 H17 . . 119.8 ?
    C16 C17 H17 . . 119.8 ?
    C17 C18 C19 . . 120.0(3) ?
    C17 C18 H18 . . 120.0 ?
    C19 C18 H18 . . 120.0 ?
    C18 C19 C20 . . 119.6(3) ?
    C18 C19 H19 . . 120.2 ?
    C20 C19 H19 . . 120.2 ?
    C15 C20 C19 . . 121.0(3) ?
    C15 C20 H20 . . 119.5 ?
    C19 C20 H20 . . 119.5 ?
    C22 C21 C26 . . 118.5(3) ?
    C22 C21 P4 . . 124.3(2) ?
    C26 C21 P4 . . 117.2(2) ?
    C21 C22 C23 . . 120.5(4) ?
    C21 C22 H22 . . 119.7 ?
    C23 C22 H22 . . 119.7 ?
    C24 C23 C22 . . 120.2(4) ?
    C24 C23 H23 . . 119.9 ?
    C22 C23 H23 . . 119.9 ?
    C23 C24 C25 . . 119.8(3) ?
    C23 C24 H24 . . 120.1 ?
    C25 C24 H24 . . 120.1 ?
    C24 C25 C26 . . 120.3(3) ?
    C24 C25 H25 . . 119.8 ?
    C26 C25 H25 . . 119.8 ?
    C25 C26 C21 . . 120.7(3) ?
    C25 C26 H26 . . 119.7 ?
    C21 C26 H26 . . 119.7 ?
    C32 C27 C28 . . 118.8(3) ?
    C32 C27 P5 . . 123.5(2) ?
    C28 C27 P5 . . 117.4(2) ?
    C29 C28 C27 . . 120.4(3) ?
    C29 C28 H28 . . 119.8 ?
    C27 C28 H28 . . 119.8 ?
    C28 C29 C30 . . 120.2(4) ?
    C28 C29 H29 . . 119.9 ?
    C30 C29 H29 . . 119.9 ?
    C31 C30 C29 . . 119.9(3) ?
    C31 C30 H30 . . 120.0 ?
    C29 C30 H30 . . 120.0 ?
    C30 C31 C32 . . 120.2(3) ?
    C30 C31 H31 . . 119.9 ?
    C32 C31 H31 . . 119.9 ?
    C31 C32 C27 . . 120.4(3) ?
    C31 C32 H32 . . 119.8 ?
    C27 C32 H32 . . 119.8 ?
    C34 C33 C38 . . 119.3(3) ?
    C34 C33 P5 . . 117.7(2) ?
    C38 C33 P5 . . 122.9(2) ?
    C35 C34 C33 . . 120.5(3) ?
    C35 C34 H34 . . 119.8 ?
    C33 C34 H34 . . 119.8 ?
    C34 C35 C36 . . 119.9(3) ?
    C34 C35 H35 . . 120.0 ?
    C36 C35 H35 . . 120.0 ?
    C37 C36 C35 . . 120.4(3) ?
    C37 C36 H36 . . 119.8 ?
    C35 C36 H36 . . 119.8 ?
    C36 C37 C38 . . 119.9(3) ?
    C36 C37 H37 . . 120.0 ?
    C38 C37 H37 . . 120.0 ?
    C37 C38 C33 . . 120.0(3) ?
    C37 C38 H38 . . 120.0 ?
    C33 C38 H38 . . 120.0 ?
    C44 C39 C40 . . 118.7(3) ?
    C44 C39 P5 . . 118.7(2) ?
    C40 C39 P5 . . 122.6(2) ?
    C39 C40 C41 . . 120.1(3) ?
    C39 C40 H40 . . 120.0 ?
    C41 C40 H40 . . 120.0 ?
    C42 C41 C40 . . 120.7(3) ?
    C42 C41 H41 . . 119.6 ?
    C40 C41 H41 . . 119.6 ?
    C41 C42 C43 . . 119.8(3) ?
    C41 C42 H42 . . 120.1 ?
    C43 C42 H42 . . 120.1 ?
    C44 C43 C42 . . 119.5(3) ?
    C44 C43 H43 . . 120.2 ?
    C42 C43 H43 . . 120.2 ?
    C39 C44 C43 . . 121.2(3) ?
    C39 C44 H44 . . 119.4 ?
    C43 C44 H44 . . 119.4 ?
    C50 C45 C46 . . 118.5(3) ?
    C50 C45 P6 . . 122.6(2) ?
    C46 C45 P6 . . 118.8(2) ?
    C47 C46 C45 . . 120.9(3) ?
    C47 C46 H46 . . 119.5 ?
    C45 C46 H46 . . 119.5 ?
    C48 C47 C46 . . 119.5(3) ?
    C48 C47 H47 . . 120.2 ?
    C46 C47 H47 . . 120.2 ?
    C49 C48 C47 . . 120.2(3) ?
    C49 C48 H48 . . 119.9 ?
    C47 C48 H48 . . 119.9 ?
    C48 C49 C50 . . 121.1(3) ?
    C48 C49 H49 . . 119.5 ?
    C50 C49 H49 . . 119.5 ?
    C49 C50 C45 . . 119.9(3) ?
    C49 C50 H50 . . 120.1 ?
    C45 C50 H50 . . 120.1 ?
    C56 C51 C52 . . 119.5(3) ?
    C56 C51 P6 . . 120.0(2) ?
    C52 C51 P6 . . 120.4(2) ?
    C53 C52 C51 . . 119.7(3) ?
    C53 C52 H52 . . 120.1 ?
    C51 C52 H52 . . 120.1 ?
    C54 C53 C52 . . 120.2(3) ?
    C54 C53 H53 . . 119.9 ?
    C52 C53 H53 . . 119.9 ?
    C55 C54 C53 . . 120.0(3) ?
    C55 C54 H54 . . 120.0 ?
    C53 C54 H54 . . 120.0 ?
    C54 C55 C56 . . 120.3(4) ?
    C54 C55 H55 . . 119.8 ?
    C56 C55 H55 . . 119.8 ?
    C51 C56 C55 . . 120.2(3) ?
    C51 C56 H56 . . 119.9 ?
    C55 C56 H56 . . 119.9 ?
    C62 C57 C58 . . 119.0(3) ?
    C62 C57 P7 . . 121.7(2) ?
    C58 C57 P7 . . 119.3(2) ?
    C57 C58 C59 . . 120.5(3) ?
    C57 C58 H58 . . 119.8 ?
    C59 C58 H58 . . 119.8 ?
    C60 C59 C58 . . 119.9(3) ?
    C60 C59 H59 . . 120.0 ?
    C58 C59 H59 . . 120.0 ?
    C59 C60 C61 . . 120.2(3) ?
    C59 C60 H60 . . 119.9 ?
    C61 C60 H60 . . 119.9 ?
    C60 C61 C62 . . 120.2(3) ?
    C60 C61 H61 . . 119.9 ?
    C62 C61 H61 . . 119.9 ?
    C57 C62 C61 . . 120.1(3) ?
    C57 C62 H62 . . 119.9 ?
    C61 C62 H62 . . 119.9 ?
    C64 C63 C68 . . 119.6(3) ?
    C64 C63 P7 . . 123.7(2) ?
    C68 C63 P7 . . 116.7(2) ?
    C63 C64 C65 . . 119.7(3) ?
    C63 C64 H64 . . 120.1 ?
    C65 C64 H64 . . 120.1 ?
    C66 C65 C64 . . 120.6(3) ?
    C66 C65 H65 . . 119.7 ?
    C64 C65 H65 . . 119.7 ?
    C67 C66 C65 . . 119.8(3) ?
    C67 C66 H66 . . 120.1 ?
    C65 C66 H66 . . 120.1 ?
    C66 C67 C68 . . 120.3(3) ?
    C66 C67 H67 . . 119.9 ?
    C68 C67 H67 . . 119.9 ?
    C67 C68 C63 . . 120.1(3) ?
    C67 C68 H68 . . 120.0 ?
    C63 C68 H68 . . 120.0 ?
    Cl70 C69 Cl71 . . 111.2(2) ?
    Cl70 C69 H69A . . 109.4 ?
    Cl71 C69 H69A . . 109.4 ?
    Cl70 C69 H69B . . 109.4 ?
    Cl71 C69 H69B . . 109.4 ?
    H69A C69 H69B . . 108.0 ?
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
    P5 Cu1 S2 P6 . . . . -125.54(4) ?
    P4 Cu1 S2 P6 . . . . 105.18(5) ?
    S3 Cu1 S2 P6 . . . . -10.61(5) ?
    P5 Cu1 S3 P7 . . . . 110.80(4) ?
    P4 Cu1 S3 P7 . . . . -120.10(4) ?
    S2 Cu1 S3 P7 . . . . -1.31(5) ?
    P5 Cu1 P4 C9 . . . . -58.34(12) ?
    S2 Cu1 P4 C9 . . . . 59.23(11) ?
    S3 Cu1 P4 C9 . . . . -177.92(11) ?
    P5 Cu1 P4 C21 . . . . -179.58(11) ?
    S2 Cu1 P4 C21 . . . . -62.01(11) ?
    S3 Cu1 P4 C21 . . . . 60.85(11) ?
    P5 Cu1 P4 C15 . . . . 63.71(12) ?
    S2 Cu1 P4 C15 . . . . -178.72(11) ?
    S3 Cu1 P4 C15 . . . . -55.87(12) ?
    P4 Cu1 P5 C39 . . . . -59.55(11) ?
    S2 Cu1 P5 C39 . . . . 179.39(11) ?
    S3 Cu1 P5 C39 . . . . 58.52(11) ?
    P4 Cu1 P5 C33 . . . . 59.54(11) ?
    S2 Cu1 P5 C33 . . . . -61.51(11) ?
    S3 Cu1 P5 C33 . . . . 177.61(11) ?
    P4 Cu1 P5 C27 . . . . 179.08(11) ?
    S2 Cu1 P5 C27 . . . . 58.03(12) ?
    S3 Cu1 P5 C27 . . . . -62.85(12) ?
    Cu1 S2 P6 N8 . . . . 5.53(12) ?
    Cu1 S2 P6 C51 . . . . -117.23(10) ?
    Cu1 S2 P6 C45 . . . . 130.84(10) ?
    Cu1 S3 P7 N8 . . . . 21.91(12) ?
    Cu1 S3 P7 C57 . . . . -106.82(10) ?
    Cu1 S3 P7 C63 . . . . 138.86(11) ?
    C57 P7 N8 P6 . . . . 87.7(3) ?
    C63 P7 N8 P6 . . . . -159.4(3) ?
    S3 P7 N8 P6 . . . . -41.2(3) ?
    C51 P6 N8 P7 . . . . 149.0(3) ?
    C45 P6 N8 P7 . . . . -101.5(3) ?
    S2 P6 N8 P7 . . . . 23.6(3) ?
    C21 P4 C9 C10 . . . . 151.0(2) ?
    C15 P4 C9 C10 . . . . -101.7(3) ?
    Cu1 P4 C9 C10 . . . . 26.2(3) ?
    C21 P4 C9 C14 . . . . -33.4(3) ?
    C15 P4 C9 C14 . . . . 73.9(3) ?
    Cu1 P4 C9 C14 . . . . -158.1(2) ?
    C14 C9 C10 C11 . . . . 0.3(5) ?
    P4 C9 C10 C11 . . . . 176.2(2) ?
    C9 C10 C11 C12 . . . . -0.7(5) ?
    C10 C11 C12 C13 . . . . 0.5(5) ?
    C11 C12 C13 C14 . . . . 0.0(5) ?
    C12 C13 C14 C9 . . . . -0.4(5) ?
    C10 C9 C14 C13 . . . . 0.2(4) ?
    P4 C9 C14 C13 . . . . -175.5(2) ?
    C9 P4 C15 C20 . . . . -171.8(2) ?
    C21 P4 C15 C20 . . . . -64.2(3) ?
    Cu1 P4 C15 C20 . . . . 56.8(3) ?
    C9 P4 C15 C16 . . . . 13.7(3) ?
    C21 P4 C15 C16 . . . . 121.3(3) ?
    Cu1 P4 C15 C16 . . . . -117.7(2) ?
    C20 C15 C16 C17 . . . . -0.6(5) ?
    P4 C15 C16 C17 . . . . 173.9(3) ?
    C15 C16 C17 C18 . . . . 1.0(5) ?
    C16 C17 C18 C19 . . . . -0.2(5) ?
    C17 C18 C19 C20 . . . . -0.9(5) ?
    C16 C15 C20 C19 . . . . -0.5(5) ?
    P4 C15 C20 C19 . . . . -175.2(3) ?
    C18 C19 C20 C15 . . . . 1.2(5) ?
    C9 P4 C21 C22 . . . . 101.7(3) ?
    C15 P4 C21 C22 . . . . -4.6(4) ?
    Cu1 P4 C21 C22 . . . . -128.0(3) ?
    C9 P4 C21 C26 . . . . -80.7(3) ?
    C15 P4 C21 C26 . . . . 173.0(3) ?
    Cu1 P4 C21 C26 . . . . 49.6(3) ?
    C26 C21 C22 C23 . . . . -2.3(6) ?
    P4 C21 C22 C23 . . . . 175.3(4) ?
    C21 C22 C23 C24 . . . . 0.7(8) ?
    C22 C23 C24 C25 . . . . 1.8(7) ?
    C23 C24 C25 C26 . . . . -2.6(6) ?
    C24 C25 C26 C21 . . . . 0.9(6) ?
    C22 C21 C26 C25 . . . . 1.5(5) ?
    P4 C21 C26 C25 . . . . -176.3(3) ?
    C39 P5 C27 C32 . . . . 98.5(3) ?
    C33 P5 C27 C32 . . . . -8.7(3) ?
    Cu1 P5 C27 C32 . . . . -133.6(2) ?
    C39 P5 C27 C28 . . . . -75.8(3) ?
    C33 P5 C27 C28 . . . . 177.1(3) ?
    Cu1 P5 C27 C28 . . . . 52.2(3) ?
    C32 C27 C28 C29 . . . . 0.0(5) ?
    P5 C27 C28 C29 . . . . 174.5(3) ?
    C27 C28 C29 C30 . . . . 0.4(6) ?
    C28 C29 C30 C31 . . . . -0.1(6) ?
    C29 C30 C31 C32 . . . . -0.5(6) ?
    C30 C31 C32 C27 . . . . 0.9(6) ?
    C28 C27 C32 C31 . . . . -0.6(5) ?
    P5 C27 C32 C31 . . . . -174.8(3) ?
    C39 P5 C33 C34 . . . . -179.4(2) ?
    C27 P5 C33 C34 . . . . -73.8(3) ?
    Cu1 P5 C33 C34 . . . . 55.1(3) ?
    C39 P5 C33 C38 . . . . 4.1(3) ?
    C27 P5 C33 C38 . . . . 109.6(3) ?
    Cu1 P5 C33 C38 . . . . -121.5(2) ?
    C38 C33 C34 C35 . . . . 0.3(5) ?
    P5 C33 C34 C35 . . . . -176.4(2) ?
    C33 C34 C35 C36 . . . . -0.2(5) ?
    C34 C35 C36 C37 . . . . -0.4(5) ?
    C35 C36 C37 C38 . . . . 0.9(6) ?
    C36 C37 C38 C33 . . . . -0.7(5) ?
    C34 C33 C38 C37 . . . . 0.2(5) ?
    P5 C33 C38 C37 . . . . 176.7(3) ?
    C33 P5 C39 C44 . . . . -101.2(3) ?
    C27 P5 C39 C44 . . . . 153.0(3) ?
    Cu1 P5 C39 C44 . . . . 22.7(3) ?
    C33 P5 C39 C40 . . . . 79.1(3) ?
    C27 P5 C39 C40 . . . . -26.7(3) ?
    Cu1 P5 C39 C40 . . . . -156.9(2) ?
    C44 C39 C40 C41 . . . . 0.6(5) ?
    P5 C39 C40 C41 . . . . -179.8(3) ?
    C39 C40 C41 C42 . . . . -0.3(6) ?
    C40 C41 C42 C43 . . . . 0.4(6) ?
    C41 C42 C43 C44 . . . . -0.8(7) ?
    C40 C39 C44 C43 . . . . -0.9(6) ?
    P5 C39 C44 C43 . . . . 179.4(3) ?
    C42 C43 C44 C39 . . . . 1.0(7) ?
    N8 P6 C45 C50 . . . . 114.7(3) ?
    C51 P6 C45 C50 . . . . -134.6(3) ?
    S2 P6 C45 C50 . . . . -17.8(3) ?
    N8 P6 C45 C46 . . . . -60.5(3) ?
    C51 P6 C45 C46 . . . . 50.2(3) ?
    S2 P6 C45 C46 . . . . 167.1(2) ?
    C50 C45 C46 C47 . . . . 0.5(5) ?
    P6 C45 C46 C47 . . . . 175.8(2) ?
    C45 C46 C47 C48 . . . . 0.6(5) ?
    C46 C47 C48 C49 . . . . -1.2(6) ?
    C47 C48 C49 C50 . . . . 0.8(6) ?
    C48 C49 C50 C45 . . . . 0.2(6) ?
    C46 C45 C50 C49 . . . . -0.9(5) ?
    P6 C45 C50 C49 . . . . -176.1(3) ?
    N8 P6 C51 C56 . . . . -161.3(3) ?
    C45 P6 C51 C56 . . . . 85.4(3) ?
    S2 P6 C51 C56 . . . . -29.6(3) ?
    N8 P6 C51 C52 . . . . 21.8(3) ?
    C45 P6 C51 C52 . . . . -91.5(3) ?
    S2 P6 C51 C52 . . . . 153.5(2) ?
    C56 C51 C52 C53 . . . . -0.8(5) ?
    P6 C51 C52 C53 . . . . 176.1(2) ?
    C51 C52 C53 C54 . . . . 0.3(5) ?
    C52 C53 C54 C55 . . . . 0.7(5) ?
    C53 C54 C55 C56 . . . . -1.2(6) ?
    C52 C51 C56 C55 . . . . 0.3(5) ?
    P6 C51 C56 C55 . . . . -176.6(3) ?
    C54 C55 C56 C51 . . . . 0.7(5) ?
    N8 P7 C57 C62 . . . . -174.0(2) ?
    C63 P7 C57 C62 . . . . 74.7(3) ?
    S3 P7 C57 C62 . . . . -39.6(3) ?
    N8 P7 C57 C58 . . . . 6.6(3) ?
    C63 P7 C57 C58 . . . . -104.7(2) ?
    S3 P7 C57 C58 . . . . 141.0(2) ?
    C62 C57 C58 C59 . . . . -0.1(5) ?
    P7 C57 C58 C59 . . . . 179.3(2) ?
    C57 C58 C59 C60 . . . . -1.2(5) ?
    C58 C59 C60 C61 . . . . 1.2(5) ?
    C59 C60 C61 C62 . . . . 0.1(5) ?
    C58 C57 C62 C61 . . . . 1.4(4) ?
    P7 C57 C62 C61 . . . . -177.9(2) ?
    C60 C61 C62 C57 . . . . -1.5(5) ?
    N8 P7 C63 C64 . . . . -137.6(3) ?
    C57 P7 C63 C64 . . . . -22.2(3) ?
    S3 P7 C63 C64 . . . . 94.7(3) ?
    N8 P7 C63 C68 . . . . 44.5(3) ?
    C57 P7 C63 C68 . . . . 159.9(2) ?
    S3 P7 C63 C68 . . . . -83.2(2) ?
    C68 C63 C64 C65 . . . . 0.0(5) ?
    P7 C63 C64 C65 . . . . -177.8(2) ?
    C63 C64 C65 C66 . . . . -0.1(5) ?
    C64 C65 C66 C67 . . . . 0.1(5) ?
    C65 C66 C67 C68 . . . . -0.1(5) ?
    C66 C67 C68 C63 . . . . 0.0(5) ?
    C64 C63 C68 C67 . . . . 0.0(5) ?
    P7 C63 C68 C67 . . . . 178.0(2) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    C42 H42 C13 2_756 0.95 2.91 3.586(5) 129
    C59 H59 C53 2_665 0.95 2.79 3.590(5) 142
    C56 H56 C60 1_655 0.95 2.69 3.589(6) 157
    C66 H66 C65 2_655 0.95 3.02 3.468(5) 111
    C55 H55 C55 2_765 0.95 3.71 3.552(5) 73
    C55 H55 C56 2_765 0.95 3.47 3.495(5) 83
