##############################################################################
###                                                                        ###
###        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/  #
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#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_global
_audit_creation_method     'SHELXL97'
_journal_date_recd_electronic     2007-09-25
_journal_date_accepted     2007-09-28
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue     11
_journal_page_first     m2652
_journal_page_last     m2653
_journal_paper_category     QM
_journal_coeditor_code     HY2086
_publ_contact_author_name     'Jian-Fang Ma'
_publ_contact_author_address
;
Department of Chemistry
Northeast Normal University
Changchun 130024
People's Republic of China
;
_publ_contact_author_email     majf247nenu@yahoo.com.cn
_publ_contact_author_fax     +86-431-85098620
_publ_contact_author_phone     +86-431-85098620
_publ_section_title
;\
(μ-3,4:9,10:17,18:23,24-Tetrabenzo-1,12,15,26-tetraaza-5,8,19,22-\
tetraoxacyclooctacosane-κ⁴N¹,N²⁶:N¹²,\
N¹⁵)bis[aquadichloridocopper(II)]
;
loop_
    _publ_author_name
    _publ_author_address
    'Zhi-Fang Jia'
;
Department of Chemistry
Northeast Normal University
Changchun 130024
People's Republic of China
;
    'Jian-Fang Ma'
;
Department of Chemistry
Northeast Normal University
Changchun 130024
People's Republic of China
;
    'Lai-Ping Zhang'
;
Department of Chemistry
Northeast Normal University
Changchun 130024
People's Republic of China
;
    'Ting-Ting Han'
;
Department of Chemistry
Northeast Normal University
Changchun 130024
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(μ-3,4:9,10:17,18:23,24-Tetrabenzo-1,12,15,26-tetraaza-5,8,19,22-
tetraoxacyclooctacosane-
κ⁴N¹,N²⁶:N¹²,N¹⁵)bis[aquadichloridocopper(II)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H48 Cl4 Cu2 N4 O6'
_chemical_formula_sum     'C36 H48 Cl4 Cu2 N4 O6'
_chemical_formula_iupac     '[Cu2 Cl4 (C36 H44 N4 O4) (H2 O)2]'
_chemical_formula_weight     901.66
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     13.1930(10)
_cell_length_b     8.4530(8)
_cell_length_c     17.913(2)
_cell_angle_alpha     90.000
_cell_angle_beta     98.211(2)
_cell_angle_gamma     90.000
_cell_volume     1977.2(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3493
_cell_measurement_theta_min     1.8
_cell_measurement_theta_max     25.1
_cell_measurement_temperature     293(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     Blue
_exptl_crystal_size_max     0.45
_exptl_crystal_size_mid     0.36
_exptl_crystal_size_min     0.24
_exptl_crystal_density_diffrn     1.515
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     932
_exptl_absorpt_coefficient_mu     1.395
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.55
_exptl_absorpt_correction_T_max     0.72
_diffrn_ambient_temperature     293(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 SMART APEX CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     9616
_diffrn_reflns_av_R_equivalents     0.0618
_diffrn_reflns_av_sigmaI/netI     0.0725
_diffrn_reflns_theta_min     1.80
_diffrn_reflns_theta_max     25.06
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.996
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -15
_diffrn_reflns_limit_h_max     14
_diffrn_reflns_limit_k_min     -10
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_l_min     -10
_diffrn_reflns_limit_l_max     21
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_reflns_number_total     3493
_reflns_number_gt     2151
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0958
_refine_ls_R_factor_gt     0.0480
_refine_ls_wR_factor_gt     0.1089
_refine_ls_wR_factor_ref     0.1422
_refine_ls_goodness_of_fit_ref     1.011
_refine_ls_restrained_S_all     1.011
_refine_ls_number_reflns     3493
_refine_ls_number_parameters     247
_refine_ls_number_restraints     2
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0678P)²] 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     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.473
_refine_diff_density_min     -0.463
_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'
    'O' 'O' 0.0106 0.0060
                         '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'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SAINT (Bruker, 1999)'
_computing_data_reduction     'SAINT (Bruker, 1999)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL-Plus (Siemens, 1990)'
_computing_publication_material     'SHELXL97 (Sheldrick, 1997)'
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_disorder_assembly
    _atom_site_disorder_group
    Cu Cu1 0.44875(4) 0.70615(7) 0.52017(3) 0.0447(2) Uani d . 1 . .
    C C1 0.2640(5) 0.4791(7) 0.2253(3) 0.0617(15) Uani d . 1 . .
    H H7A 0.2055 0.5058 0.1883 0.074 Uiso calc R 1 . .
    H H7B 0.2647 0.3652 0.2320 0.074 Uiso calc R 1 . .
    C C2 0.1616(4) 0.5391(6) 0.3202(3) 0.0517(14) Uani d . 1 . .
    C C3 0.0785(5) 0.4584(7) 0.2829(4) 0.0673(17) Uani d . 1 . .
    H H4 0.0833 0.4084 0.2373 0.081 Uiso calc R 1 . .
    C C4 -0.0119(5) 0.4520(8) 0.3135(5) 0.084(2) Uani d . 1 . .
    H H3 -0.0670 0.3950 0.2887 0.101 Uiso calc R 1 . .
    C C5 -0.0218(5) 0.5281(9) 0.3794(4) 0.085(2) Uani d . 1 . .
    H H2 -0.0832 0.5243 0.3992 0.103 Uiso calc R 1 . .
    C C6 0.0609(4) 0.6105(8) 0.4161(4) 0.0679(17) Uani d . 1 . .
    H H1 0.0542 0.6631 0.4607 0.082 Uiso calc R 1 . .
    C C7 0.1536(4) 0.6171(6) 0.3884(3) 0.0521(14) Uani d . 1 . .
    C C8 0.2442(4) 0.7015(6) 0.4312(3) 0.0506(13) Uani d . 1 . .
    H H16A 0.2763 0.7660 0.3964 0.061 Uiso calc R 1 . .
    H H16B 0.2207 0.7715 0.4680 0.061 Uiso calc R 1 . .
    C C9 0.2833(4) 0.4900(6) 0.5276(3) 0.0559(15) Uani d . 1 . .
    H H17A 0.3217 0.3918 0.5332 0.067 Uiso calc R 1 . .
    H H17B 0.2117 0.4646 0.5118 0.067 Uiso calc R 1 . .
    C C10 0.2949(4) 0.5753(7) 0.6006(3) 0.0566(15) Uani d . 1 . .
    H H18A 0.2786 0.5053 0.6402 0.068 Uiso calc R 1 . .
    H H18B 0.2484 0.6647 0.5974 0.068 Uiso calc R 1 . .
    C C11 0.5860(4) 0.2581(6) 0.3172(3) 0.0560(15) Uani d . 1 . .
    H H15A 0.5168 0.2164 0.3097 0.067 Uiso calc R 1 . .
    H H15B 0.6327 0.1700 0.3288 0.067 Uiso calc R 1 . .
    C C12 0.6074(5) 0.3359(7) 0.2453(3) 0.0585(15) Uani d . 1 . .
    C C13 0.6979(5) 0.3074(8) 0.2161(4) 0.0751(19) Uani d . 1 . .
    H H14 0.7472 0.2411 0.2420 0.090 Uiso calc R 1 . .
    C C14 0.7156(6) 0.3762(10) 0.1493(4) 0.088(2) Uani d . 1 . .
    H H13 0.7751 0.3525 0.1293 0.106 Uiso calc R 1 . .
    C C15 0.6462(7) 0.4785(10) 0.1127(4) 0.096(3) Uani d . 1 . .
    H H12 0.6601 0.5272 0.0688 0.116 Uiso calc R 1 . .
    C C16 0.5547(6) 0.5120(8) 0.1396(4) 0.083(2) Uani d . 1 . .
    H H11 0.5073 0.5818 0.1142 0.099 Uiso calc R 1 . .
    C C17 0.5361(5) 0.4361(7) 0.2071(3) 0.0638(17) Uani d . 1 . .
    C C18 0.3590(5) 0.5285(7) 0.1969(3) 0.0703(18) Uani d . 1 . .
    H H8A 0.3551 0.5001 0.1441 0.084 Uiso calc R 1 . .
    H H8B 0.3665 0.6424 0.2010 0.084 Uiso calc R 1 . .
    N N1 0.3214(3) 0.5906(5) 0.4705(2) 0.0453(11) Uani d . 1 . .
    N N2 0.4025(3) 0.6311(5) 0.6184(3) 0.0472(11) Uani d . 1 . .
    O O1 0.2538(3) 0.5538(4) 0.2951(2) 0.0561(10) Uani d . 1 . .
    O O2 0.4457(3) 0.4535(5) 0.2392(2) 0.0693(11) Uani d . 1 . .
    O O1W 0.3772(3) 0.9524(4) 0.5303(2) 0.0613(11) Uani d D 1 . .
    Cl Cl1 0.60735(10) 0.76791(17) 0.58394(8) 0.0568(4) Uani d . 1 . .
    Cl Cl2 0.49428(10) 0.74432(16) 0.40179(8) 0.0546(4) Uani d . 1 . .
    H H1C 0.336(4) 0.521(6) 0.434(3) 0.065 Uiso d . 1 . .
    H H2C 0.437(4) 0.555(6) 0.631(3) 0.065 Uiso d . 1 . .
    H H1A 0.411(4) 1.010(7) 0.560(3) 0.082 Uiso d D 1 . .
    H H1B 0.361(4) 1.029(6) 0.488(3) 0.082 Uiso d D 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
    Cu1 N1 . 2.035(4) yes
    Cu1 N2 . 2.044(4) yes
    Cu1 Cl1 . 2.2964(15) yes
    Cu1 O1W . 2.303(4) yes
    Cu1 Cl2 . 2.3078(15) yes
    C1 O1 . 1.425(6) ?
    C1 C18 . 1.479(7) ?
    C1 H7A . 0.9700 ?
    C1 H7B . 0.9700 ?
    C2 O1 . 1.362(6) ?
    C2 C3 . 1.380(7) ?
    C2 C7 . 1.406(7) ?
    C3 C4 . 1.382(8) ?
    C3 H4 . 0.9300 ?
    C4 C5 . 1.368(9) ?
    C4 H3 . 0.9300 ?
    C5 C6 . 1.379(9) ?
    C5 H2 . 0.9300 ?
    C6 C7 . 1.385(7) ?
    C6 H1 . 0.9300 ?
    C7 C8 . 1.504(7) ?
    C8 N1 . 1.485(6) ?
    C8 H16A . 0.9700 ?
    C8 H16B . 0.9700 ?
    C9 N1 . 1.474(6) ?
    C9 C10 . 1.481(7) ?
    C9 H17A . 0.9700 ?
    C9 H17B . 0.9700 ?
    C10 N2 . 1.486(6) ?
    C10 H18A . 0.9700 ?
    C10 H18B . 0.9700 ?
    C11 N2 3_666 1.477(7) ?
    C11 C12 . 1.507(7) ?
    C11 H15A . 0.9700 ?
    C11 H15B . 0.9700 ?
    C12 C17 . 1.373(8) ?
    C12 C13 . 1.392(7) ?
    C13 C14 . 1.381(9) ?
    C13 H14 . 0.9300 ?
    C14 C15 . 1.357(10) ?
    C14 H13 . 0.9300 ?
    C15 C16 . 1.391(9) ?
    C15 H12 . 0.9300 ?
    C16 C17 . 1.421(8) ?
    C16 H11 . 0.9300 ?
    C17 O2 . 1.403(6) ?
    C18 O2 . 1.427(7) ?
    C18 H8A . 0.9700 ?
    C18 H8B . 0.9700 ?
    N1 H1C . 0.93(5) ?
    N2 C11 3_666 1.477(7) ?
    N2 H2C . 0.80(5) ?
    O1W H1A . 0.81(4) ?
    O1W H1B . 1.00(4) ?
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 N2 . . 84.17(17) yes
    N1 Cu1 Cl1 . . 164.46(13) yes
    N2 Cu1 Cl1 . . 90.30(13) yes
    N1 Cu1 O1W . . 98.39(16) yes
    N2 Cu1 O1W . . 92.11(16) yes
    Cl1 Cu1 O1W . . 96.31(11) yes
    N1 Cu1 Cl2 . . 88.39(12) yes
    N2 Cu1 Cl2 . . 169.54(13) yes
    Cl1 Cu1 Cl2 . . 94.99(5) yes
    O1W Cu1 Cl2 . . 96.26(11) yes
    O1 C1 C18 . . 111.6(5) ?
    O1 C1 H7A . . 109.3 ?
    C18 C1 H7A . . 109.3 ?
    O1 C1 H7B . . 109.3 ?
    C18 C1 H7B . . 109.3 ?
    H7A C1 H7B . . 108.0 ?
    O1 C2 C3 . . 124.9(6) ?
    O1 C2 C7 . . 115.1(5) ?
    C3 C2 C7 . . 120.0(5) ?
    C2 C3 C4 . . 119.9(6) ?
    C2 C3 H4 . . 120.0 ?
    C4 C3 H4 . . 120.0 ?
    C5 C4 C3 . . 121.2(7) ?
    C5 C4 H3 . . 119.4 ?
    C3 C4 H3 . . 119.4 ?
    C4 C5 C6 . . 118.8(6) ?
    C4 C5 H2 . . 120.6 ?
    C6 C5 H2 . . 120.6 ?
    C5 C6 C7 . . 122.0(6) ?
    C5 C6 H1 . . 119.0 ?
    C7 C6 H1 . . 119.0 ?
    C6 C7 C2 . . 118.1(5) ?
    C6 C7 C8 . . 121.0(5) ?
    C2 C7 C8 . . 120.8(5) ?
    N1 C8 C7 . . 112.5(4) ?
    N1 C8 H16A . . 109.1 ?
    C7 C8 H16A . . 109.1 ?
    N1 C8 H16B . . 109.1 ?
    C7 C8 H16B . . 109.1 ?
    H16A C8 H16B . . 107.8 ?
    N1 C9 C10 . . 109.2(4) ?
    N1 C9 H17A . . 109.8 ?
    C10 C9 H17A . . 109.8 ?
    N1 C9 H17B . . 109.8 ?
    C10 C9 H17B . . 109.8 ?
    H17A C9 H17B . . 108.3 ?
    C9 C10 N2 . . 108.6(4) ?
    C9 C10 H18A . . 110.0 ?
    N2 C10 H18A . . 110.0 ?
    C9 C10 H18B . . 110.0 ?
    N2 C10 H18B . . 110.0 ?
    H18A C10 H18B . . 108.3 ?
    N2 C11 C12 3_666 . 112.3(4) ?
    N2 C11 H15A 3_666 . 109.1 ?
    C12 C11 H15A . . 109.1 ?
    N2 C11 H15B 3_666 . 109.1 ?
    C12 C11 H15B . . 109.1 ?
    H15A C11 H15B . . 107.9 ?
    C17 C12 C13 . . 118.9(6) ?
    C17 C12 C11 . . 119.7(5) ?
    C13 C12 C11 . . 121.4(6) ?
    C14 C13 C12 . . 120.9(7) ?
    C14 C13 H14 . . 119.6 ?
    C12 C13 H14 . . 119.6 ?
    C15 C14 C13 . . 120.1(7) ?
    C15 C14 H13 . . 120.0 ?
    C13 C14 H13 . . 120.0 ?
    C14 C15 C16 . . 121.4(7) ?
    C14 C15 H12 . . 119.3 ?
    C16 C15 H12 . . 119.3 ?
    C15 C16 C17 . . 117.8(7) ?
    C15 C16 H11 . . 121.1 ?
    C17 C16 H11 . . 121.1 ?
    C12 C17 O2 . . 115.0(5) ?
    C12 C17 C16 . . 120.9(6) ?
    O2 C17 C16 . . 124.2(6) ?
    O2 C18 C1 . . 110.3(5) ?
    O2 C18 H8A . . 109.6 ?
    C1 C18 H8A . . 109.6 ?
    O2 C18 H8B . . 109.6 ?
    C1 C18 H8B . . 109.6 ?
    H8A C18 H8B . . 108.1 ?
    C9 N1 C8 . . 114.5(4) ?
    C9 N1 Cu1 . . 108.4(3) ?
    C8 N1 Cu1 . . 111.8(3) ?
    C9 N1 H1C . . 105(3) ?
    C8 N1 H1C . . 105(3) ?
    Cu1 N1 H1C . . 112(3) ?
    C11 N2 C10 3_666 . 110.9(4) ?
    C11 N2 Cu1 3_666 . 117.8(3) ?
    C10 N2 Cu1 . . 107.9(3) ?
    C11 N2 H2C 3_666 . 107(4) ?
    C10 N2 H2C . . 107(4) ?
    Cu1 N2 H2C . . 106(4) ?
    C2 O1 C1 . . 116.7(4) ?
    C17 O2 C18 . . 119.5(5) ?
    Cu1 O1W H1A . . 113(5) ?
    Cu1 O1W H1B . . 125(3) ?
    H1A O1W H1B . . 99(5) ?
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
    O1 C2 C3 C4 . . . . -179.6(5) ?
    C7 C2 C3 C4 . . . . -1.2(8) ?
    C2 C3 C4 C5 . . . . 1.8(10) ?
    C3 C4 C5 C6 . . . . -0.9(11) ?
    C4 C5 C6 C7 . . . . -0.6(10) ?
    C5 C6 C7 C2 . . . . 1.1(9) ?
    C5 C6 C7 C8 . . . . -177.2(6) ?
    O1 C2 C7 C6 . . . . 178.3(5) ?
    C3 C2 C7 C6 . . . . -0.3(8) ?
    O1 C2 C7 C8 . . . . -3.3(7) ?
    C3 C2 C7 C8 . . . . 178.1(5) ?
    C6 C7 C8 N1 . . . . 103.8(6) ?
    C2 C7 C8 N1 . . . . -74.6(6) ?
    N1 C9 C10 N2 . . . . -52.1(6) ?
    N2 C11 C12 C17 3_666 . . . -75.4(7) ?
    N2 C11 C12 C13 3_666 . . . 105.2(6) ?
    C17 C12 C13 C14 . . . . -1.0(9) ?
    C11 C12 C13 C14 . . . . 178.4(6) ?
    C12 C13 C14 C15 . . . . 2.8(10) ?
    C13 C14 C15 C16 . . . . -2.4(11) ?
    C14 C15 C16 C17 . . . . 0.3(10) ?
    C13 C12 C17 O2 . . . . 177.9(5) ?
    C11 C12 C17 O2 . . . . -1.5(8) ?
    C13 C12 C17 C16 . . . . -1.1(9) ?
    C11 C12 C17 C16 . . . . 179.5(5) ?
    C15 C16 C17 C12 . . . . 1.5(9) ?
    C15 C16 C17 O2 . . . . -177.4(6) ?
    O1 C1 C18 O2 . . . . 74.8(6) ?
    C10 C9 N1 C8 . . . . -86.8(5) ?
    C10 C9 N1 Cu1 . . . . 38.8(5) ?
    C7 C8 N1 C9 . . . . -61.3(6) ?
    C7 C8 N1 Cu1 . . . . 175.0(3) ?
    N2 Cu1 N1 C9 . . . . -13.3(3) ?
    Cl1 Cu1 N1 C9 . . . . 56.3(6) ?
    O1W Cu1 N1 C9 . . . . -104.6(3) ?
    Cl2 Cu1 N1 C9 . . . . 159.3(3) ?
    N2 Cu1 N1 C8 . . . . 113.8(3) ?
    Cl1 Cu1 N1 C8 . . . . -176.5(3) ?
    O1W Cu1 N1 C8 . . . . 22.5(3) ?
    Cl2 Cu1 N1 C8 . . . . -73.6(3) ?
    C9 C10 N2 C11 . . . 3_666 169.4(4) ?
    C9 C10 N2 Cu1 . . . . 39.0(5) ?
    N1 Cu1 N2 C11 . . . 3_666 -140.6(4) ?
    Cl1 Cu1 N2 C11 . . . 3_666 54.0(4) ?
    O1W Cu1 N2 C11 . . . 3_666 -42.3(4) ?
    Cl2 Cu1 N2 C11 . . . 3_666 174.5(5) ?
    N1 Cu1 N2 C10 . . . . -14.1(3) ?
    Cl1 Cu1 N2 C10 . . . . -179.5(3) ?
    O1W Cu1 N2 C10 . . . . 84.2(3) ?
    Cl2 Cu1 N2 C10 . . . . -59.0(9) ?
    C3 C2 O1 C1 . . . . -0.2(7) ?
    C7 C2 O1 C1 . . . . -178.7(5) ?
    C18 C1 O1 C2 . . . . 169.0(5) ?
    C12 C17 O2 C18 . . . . -167.5(5) ?
    C16 C17 O2 C18 . . . . 11.4(8) ?
    C1 C18 O2 C17 . . . . 157.1(5) ?
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
    _geom_hbond_publ_flag
    O1W H1B Cl1 3_676 1.00(4) 2.22(5) 3.152(4) 155(5) y
    O1W H1A Cl2 3_676 0.81(4) 2.47(5) 3.215(4) 154(6) y
