# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zlm160d3
_database_code_depnum_ccdc_archive 'CCDC 2308966'
loop_
_audit_author_name
_audit_author_address
'Shang-Fu Yuan'
;Jinan University
China
;
_audit_update_record             
;
2023-11-20 deposited with the CCDC.	2024-03-19 downloaded from the CCDC.
;
_audit_creation_date             2023-04-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.16 svn.ra9532c28 for OlexSys, GUI svn.r6427)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        Cu9-Ph
_chemical_formula_moiety         
'2(C66 H40 Cu9 F12 N8 O8), 0.5(C2 Cl4), 2(F6 P), 4(C7 H8)'
_chemical_formula_sum            'C161 H114 Cl2 Cu18 F36 N16 O16 P2'
_chemical_formula_weight         4489.23
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   26.0267(6)
_cell_length_b                   26.6509(6)
_cell_length_c                   23.8837(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     16566.6(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    20181
_cell_measurement_temperature    100.01(13)
_cell_measurement_theta_max      77.2870
_cell_measurement_theta_min      3.0150
_shelx_estimated_absorpt_T_max   0.700
_shelx_estimated_absorpt_T_min   0.700
_exptl_absorpt_coefficient_mu    3.834
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.22519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8920
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_av_unetI/netI     0.0700
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            64004
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.497
_diffrn_reflns_theta_max         67.497
_diffrn_reflns_theta_min         3.009
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -60.00 -33.00   1.00    1.17    --   -0.90 -49.00 -84.00   27
  2  ω     31.00  56.00   1.00    1.17    --   -0.90  49.00  63.00   25
  3  ω     27.00  53.00   1.00    1.17    --    0.90  72.00-114.00   26
  4  ω    -32.00  14.00   1.00    1.17    --    0.90 -72.00 115.00   46
  5  ω    136.00 161.00   1.00    4.69    --  105.10  49.00  63.00   25
  6  ω     56.00  82.00   1.00    4.69    --  105.10 -49.00 -84.00   26
  7  ω     52.00  77.00   1.00    4.69    --  105.10 -72.00 115.00   25
  8  ω    110.00 135.00   1.00    4.69    --  105.10  72.00-114.00   25
  9  ω    -88.00  24.00   1.00    1.17    --    0.90 -38.00 150.00  112
 10  ω     39.00 132.00   1.00    4.69    --  105.10 -57.00  90.00   93
 11  ω     82.00 193.00   1.00    4.69    --  105.10  38.00  30.00  111
 12  ω     82.00 193.00   1.00    4.69    --  105.10  38.00   0.00  111
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0353435000
_diffrn_orient_matrix_UB_12      -0.0033624000
_diffrn_orient_matrix_UB_13      0.0517497000
_diffrn_orient_matrix_UB_21      0.0067004000
_diffrn_orient_matrix_UB_22      -0.0575074000
_diffrn_orient_matrix_UB_23      0.0005893000
_diffrn_orient_matrix_UB_31      0.0470000000
_diffrn_orient_matrix_UB_32      0.0053853000
_diffrn_orient_matrix_UB_33      0.0384226000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12445
_reflns_number_total             14893
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.395
_refine_diff_density_min         -1.734
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1076
_refine_ls_number_reflns         14893
_refine_ls_number_restraints     118
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0700
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1044P)²+82.2970P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1870
_refine_ls_wR_factor_ref         0.1940
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl1-C1S
 1.75 with sigma of 0.01
 Cl2-C1S
 1.75 with sigma of 0.01
 C28-F3
 1.55 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C2S \\sim C3S \\sim C4S \\sim C5S \\sim C6S \\sim C7S \\sim C8S: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
C9S \\sim C10S \\sim C11S \\sim C12S \\sim C13S \\sim C14S \\sim C15S: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Cl1 \\sim Cl2 \\sim C1S: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
F4 \\sim F5 \\sim F6 \\sim O3 \\sim O4 \\sim C29 \\sim C30: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
F1 \\sim F2 \\sim O1 \\sim O2 \\sim C27 \\sim C28: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
C2S \\sim C3S \\sim C4S \\sim C5S \\sim C6S \\sim C7S \\sim C8S \\sim C16S
\\sim C17S \\sim C18S \\sim C19S \\sim C20S \\sim C21S: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
4. Others
 Fixed Sof: C35(0.5) H35(0.5) C36(0.5) H36(0.5) C37(0.5) H37(0.5) H115(0.5)
 H11A(0.5) C116(0.5) H116(0.5) C117(0.5) H117(0.5) C118(0.5) H118(0.5) Cl1(0.5)
 Cl2(0.5) C1S(0.5) C3S(0.5) C8S(0.5) H8S(0.5) C7S(0.5) H7S(0.5) C6S(0.5)
 H6S(0.5) C5S(0.5) H5S(0.5) C4S(0.5) H4S(0.5) C16S(0.5) C21S(0.5) H21S(0.5)
 C20S(0.5) H20S(0.5) C19S(0.5) H19S(0.5) C18S(0.5) H18S(0.5) C17S(0.5) H17S(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C19(H19), C21(H21), C23(H23),
  C24(H24), C25(H25), C26(H26), C35(H35), C36(H36), C37(H37), C114(H114),
 C115(H115), C115(H11A), C116(H116), C117(H117), C118(H118), C124(H124),
 C125(H125), C126(H126), C127(H127), C128(H128), C134(H134), C135(H135),
 C136(H136), C137(H137), C138(H138), C144(H144), C145(H145), C146(H146),
 C147(H147), C148(H148), C8S(H8S), C7S(H7S), C6S(H6S), C5S(H5S), C4S(H4S),
 C21S(H21S), C20S(H20S), C19S(H19S), C18S(H18S), C17S(H17S), C11S(H11S),
 C12S(H12S), C13S(H13S), C14S(H14S), C15S(H15S)
5.b Fitted hexagon refined as free rotating group:
 C114(C115,C116,C117,C118,C113), C3S(C8S,C7S,C6S,C5S,C4S), C16S(C21S,C20S,C19S,
 C18S,C17S)
5.c Idealised Me refined as rotating group:
 C2S(H2SA,H2SB,H2SC), C9S(H9SA,H9SB,H9SC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.78339(3) 0.43897(3) 0.71690(3) 0.02056(18) Uani 1 1 d . . . . .
Cu2 Cu 0.78486(3) 0.33774(3) 0.71384(3) 0.02034(18) Uani 1 1 d . . . . .
Cu3 Cu 0.86442(3) 0.38426(3) 0.68895(3) 0.02163(19) Uani 1 1 d . . . . .
Cu4 Cu 0.78853(3) 0.38817(3) 0.80457(3) 0.02230(19) Uani 1 1 d . . . . .
Cu5 Cu 0.84428(3) 0.50727(3) 0.74627(3) 0.02409(19) Uani 1 1 d . . . . .
Cu6 Cu 0.75338(3) 0.51506(3) 0.78685(3) 0.02163(19) Uani 1 1 d . . . . .
Cu7 Cu 0.72715(3) 0.51752(3) 0.68516(3) 0.02284(19) Uani 1 1 d . . . . .
Cu8 Cu 0.68861(3) 0.43088(3) 0.70112(3) 0.02330(19) Uani 1 1 d . . . . .
Cu9 Cu 0.81036(3) 0.43290(3) 0.61625(3) 0.02211(19) Uani 1 1 d . . . . .
F1 F 0.55188(18) 0.54168(19) 0.6113(3) 0.0738(15) Uani 1 1 d . U . . .
F2 F 0.5481(3) 0.5523(4) 0.7028(3) 0.122(3) Uani 1 1 d . U . . .
F3 F 0.5255(2) 0.4828(3) 0.6685(5) 0.150(4) Uani 1 1 d D . . . .
F4 F 0.9084(2) 0.3711(4) 0.4738(2) 0.126(3) Uani 1 1 d . U . . .
F5 F 0.9713(3) 0.3838(4) 0.5203(3) 0.136(3) Uani 1 1 d . U . . .
F6 F 0.9405(4) 0.3181(3) 0.5237(4) 0.156(3) Uani 1 1 d . U . . .
F7 F 0.73936(15) 0.23957(14) 0.89066(16) 0.0414(9) Uani 1 1 d . . . . .
F8 F 0.7863(2) 0.19424(13) 0.83887(18) 0.0606(13) Uani 1 1 d . . . . .
F9 F 0.82004(17) 0.24210(16) 0.9020(2) 0.0575(12) Uani 1 1 d . . . . .
F10 F 0.83574(17) 0.65339(15) 0.88448(17) 0.0495(10) Uani 1 1 d . . . . .
F11 F 0.82920(17) 0.68160(13) 0.80116(18) 0.0474(10) Uani 1 1 d . . . . .
F12 F 0.90083(14) 0.65070(14) 0.8304(2) 0.0533(12) Uani 1 1 d . . . . .
O1 O 0.62091(15) 0.45654(16) 0.6831(2) 0.0359(10) Uani 1 1 d . U . . .
O2 O 0.64755(16) 0.53267(15) 0.65506(18) 0.0327(9) Uani 1 1 d . U . . .
O3 O 0.85567(15) 0.40559(15) 0.55855(16) 0.0291(8) Uani 1 1 d . U . . .
O4 O 0.91215(14) 0.36868(14) 0.61667(16) 0.0267(8) Uani 1 1 d . U . . .
O5 O 0.77894(15) 0.27270(14) 0.77107(16) 0.0262(8) Uani 1 1 d . . . . .
O6 O 0.79322(16) 0.32431(14) 0.84453(16) 0.0272(8) Uani 1 1 d . . . . .
O7 O 0.78914(15) 0.57978(15) 0.82682(18) 0.0313(9) Uani 1 1 d . . . . .
O8 O 0.86261(16) 0.57215(15) 0.77794(19) 0.0356(10) Uani 1 1 d . . . . .
N1 N 0.76302(18) 0.58517(17) 0.6608(2) 0.0257(10) Uani 1 1 d . . . . .
N2 N 0.70604(19) 0.61021(17) 0.7293(2) 0.0263(10) Uani 1 1 d . . . . .
N3 N 0.65905(19) 0.56432(17) 0.78210(19) 0.0267(10) Uani 1 1 d . . . . .
N4 N 0.68898(18) 0.49896(17) 0.8362(2) 0.0259(10) Uani 1 1 d . . . . .
N5 N 0.76228(18) 0.30475(17) 0.6377(2) 0.0259(10) Uani 1 1 d . . . . .
N6 N 0.84370(18) 0.27258(16) 0.65026(19) 0.0244(9) Uani 1 1 d . . . . .
N7 N 0.89508(18) 0.28891(17) 0.7179(2) 0.0257(10) Uani 1 1 d . . . . .
N8 N 0.91606(17) 0.36715(17) 0.7526(2) 0.0255(10) Uani 1 1 d . . . . .
C1 C 0.8012(2) 0.5940(2) 0.6251(3) 0.0294(12) Uani 1 1 d . . . . .
H1 H 0.8145 0.5675 0.6043 0.035 Uiso 1 1 calc R U . . .
C2 C 0.8219(3) 0.6417(2) 0.6178(3) 0.0367(14) Uani 1 1 d . . . . .
H2 H 0.8481 0.6470 0.5921 0.044 Uiso 1 1 calc R U . . .
C3 C 0.8031(3) 0.6807(2) 0.6491(3) 0.0347(14) Uani 1 1 d . . . . .
H3 H 0.8171 0.7126 0.6453 0.042 Uiso 1 1 calc R U . . .
C4 C 0.7630(3) 0.6725(2) 0.6866(3) 0.0318(13) Uani 1 1 d . . . . .
H4 H 0.7491 0.6984 0.7078 0.038 Uiso 1 1 calc R U . . .
C5 C 0.7451(2) 0.6239(2) 0.6907(2) 0.0256(11) Uani 1 1 d . . . . .
C6 C 0.7031(2) 0.5629(2) 0.7509(2) 0.0242(11) Uani 1 1 d . . . . .
C7 C 0.6645(2) 0.6397(2) 0.7460(3) 0.0331(13) Uani 1 1 d . . . . .
H7 H 0.6585 0.6730 0.7364 0.040 Uiso 1 1 calc R U . . .
C8 C 0.6350(2) 0.6106(2) 0.7787(3) 0.0328(13) Uani 1 1 d . . . . .
H8 H 0.6043 0.6198 0.7958 0.039 Uiso 1 1 calc R U . . .
C9 C 0.6473(2) 0.5252(2) 0.8202(2) 0.0263(11) Uani 1 1 d . . . . .
C10 C 0.5986(2) 0.5166(2) 0.8402(3) 0.0322(13) Uani 1 1 d . . . . .
H10 H 0.5706 0.5347 0.8270 0.039 Uiso 1 1 calc R U . . .
C11 C 0.5929(2) 0.4799(2) 0.8804(3) 0.0377(15) Uani 1 1 d . . . . .
H11 H 0.5606 0.4736 0.8956 0.045 Uiso 1 1 calc R U . . .
C12 C 0.6347(3) 0.4527(2) 0.8981(3) 0.0386(15) Uani 1 1 d . . . . .
H12 H 0.6313 0.4281 0.9256 0.046 Uiso 1 1 calc R U . . .
C13 C 0.6822(2) 0.4629(2) 0.8738(3) 0.0296(12) Uani 1 1 d . . . . .
H13 H 0.7104 0.4436 0.8844 0.036 Uiso 1 1 calc R U . . .
C14 C 0.7194(2) 0.3121(2) 0.6075(3) 0.0307(13) Uani 1 1 d . . . . .
H14 H 0.6932 0.3318 0.6222 0.037 Uiso 1 1 calc R U . . .
C15 C 0.7132(3) 0.2910(2) 0.5547(3) 0.0384(15) Uani 1 1 d . . . . .
H15 H 0.6834 0.2968 0.5342 0.046 Uiso 1 1 calc R U . . .
C16 C 0.7514(3) 0.2617(3) 0.5333(3) 0.0425(16) Uani 1 1 d . . . . .
H16 H 0.7475 0.2467 0.4984 0.051 Uiso 1 1 calc R U . . .
C17 C 0.7960(3) 0.2545(2) 0.5637(3) 0.0385(15) Uani 1 1 d . . . . .
H17 H 0.8228 0.2352 0.5497 0.046 Uiso 1 1 calc R U . . .
C18 C 0.7994(2) 0.2769(2) 0.6155(2) 0.0270(12) Uani 1 1 d . . . . .
C19 C 0.8798(2) 0.2341(2) 0.6517(3) 0.0314(13) Uani 1 1 d . . . . .
H19 H 0.8816 0.2069 0.6273 0.038 Uiso 1 1 calc R U . . .
C20 C 0.8532(2) 0.3075(2) 0.6910(2) 0.0228(11) Uani 1 1 d . . . . .
C21 C 0.9113(2) 0.2435(2) 0.6944(3) 0.0303(13) Uani 1 1 d . . . . .
H21 H 0.9387 0.2238 0.7062 0.036 Uiso 1 1 calc R U . . .
C22 C 0.9213(2) 0.3175(2) 0.7596(2) 0.0270(12) Uani 1 1 d . . . . .
C23 C 0.9493(2) 0.2956(2) 0.8022(3) 0.0343(14) Uani 1 1 d . . . . .
H23 H 0.9512 0.2609 0.8060 0.041 Uiso 1 1 calc R U . . .
C24 C 0.9741(3) 0.3269(3) 0.8384(3) 0.0405(15) Uani 1 1 d . . . . .
H24 H 0.9937 0.3135 0.8673 0.049 Uiso 1 1 calc R U . . .
C25 C 0.9704(2) 0.3785(3) 0.8326(3) 0.0377(14) Uani 1 1 d . . . . .
H25 H 0.9875 0.4000 0.8569 0.045 Uiso 1 1 calc R U . . .
C26 C 0.9402(2) 0.3970(2) 0.7895(3) 0.0316(13) Uani 1 1 d . . . . .
H26 H 0.9366 0.4315 0.7859 0.038 Uiso 1 1 calc R U . . .
C27 C 0.6156(2) 0.5006(3) 0.6651(3) 0.0414(14) Uani 1 1 d . U . . .
C28 C 0.5616(3) 0.5211(3) 0.6599(5) 0.074(2) Uani 1 1 d D U . . .
C29 C 0.8948(2) 0.3807(2) 0.5702(2) 0.0255(11) Uani 1 1 d . U . . .
C30 C 0.9274(3) 0.3635(3) 0.5206(3) 0.0436(15) Uani 1 1 d . U . . .
C31 C 0.7861(2) 0.2826(2) 0.8217(2) 0.0242(11) Uani 1 1 d . . . . .
C32 C 0.7839(2) 0.2388(2) 0.8631(3) 0.0332(13) Uani 1 1 d . . . . .
C33 C 0.8318(2) 0.5936(2) 0.8109(3) 0.0287(12) Uani 1 1 d . . . . .
C34 C 0.8501(2) 0.6450(2) 0.8320(3) 0.0331(13) Uani 1 1 d . . . . .
C35 C 1.0194(5) 0.5563(6) 0.6856(6) 0.050(4) Uani 0.5 1 d . . P A -1
H35 H 1.0390 0.5760 0.7096 0.060 Uiso 0.5 1 calc R U P A -1
C36 C 0.9712(6) 0.5402(6) 0.7016(6) 0.044(3) Uani 0.5 1 d . . P A -1
H36 H 0.9610 0.5420 0.7388 0.053 Uiso 0.5 1 calc R U P A -1
C37 C 1.0385(6) 0.5430(7) 0.6335(7) 0.046(4) Uani 0.5 1 d . . P A -1
H37 H 1.0712 0.5532 0.6228 0.055 Uiso 0.5 1 calc R U P A -1
C111 C 0.8574(2) 0.4581(2) 0.6824(2) 0.0230(11) Uani 1 1 d . . . . .
C112 C 0.8904(2) 0.4920(2) 0.6792(3) 0.0302(12) Uani 1 1 d . . . . .
C114 C 0.96512(17) 0.49324(15) 0.6188(2) 0.0363(14) Uani 1 1 d G . . . .
H114 H 0.9559 0.4612 0.6072 0.044 Uiso 1 1 calc R U . . .
C115 C 1.00979(17) 0.5153(2) 0.5985(2) 0.0429(16) Uani 1 1 d G . . . .
H115 H 1.0196 0.5110 0.5614 0.051 Uiso 0.5 1 calc R U P A -1
H11A H 1.0304 0.4980 0.5733 0.051 Uiso 0.5 1 calc R U P A 1
C116 C 1.0236(2) 0.5632(2) 0.6160(3) 0.049(4) Uani 0.5 1 d G . P A 1
H116 H 1.0535 0.5780 0.6024 0.059 Uiso 0.5 1 calc R U P A 1
C117 C 0.9927(3) 0.5890(2) 0.6537(4) 0.051(4) Uani 0.5 1 d G . P A 1
H117 H 1.0019 0.6211 0.6654 0.061 Uiso 0.5 1 calc R U P A 1
C118 C 0.9480(3) 0.5670(2) 0.6740(3) 0.043(3) Uani 0.5 1 d G . P A 1
H118 H 0.9274 0.5842 0.6993 0.051 Uiso 0.5 1 calc R U P A 1
C113 C 0.93425(18) 0.5191(2) 0.6566(2) 0.052(2) Uani 1 1 d G . . . .
C121 C 0.7387(2) 0.45834(19) 0.6386(2) 0.0219(11) Uani 1 1 d . . . . .
C122 C 0.7365(2) 0.44198(19) 0.5890(2) 0.0217(11) Uani 1 1 d . . . . .
C123 C 0.7136(2) 0.4267(2) 0.5364(2) 0.0245(11) Uani 1 1 d . . . . .
C124 C 0.7437(2) 0.4119(2) 0.4913(2) 0.0302(12) Uani 1 1 d . . . . .
H124 H 0.7793 0.4127 0.4941 0.036 Uiso 1 1 calc R U . . .
C125 C 0.7203(3) 0.3958(2) 0.4415(3) 0.0349(14) Uani 1 1 d . . . . .
H125 H 0.7403 0.3861 0.4112 0.042 Uiso 1 1 calc R U . . .
C126 C 0.6675(3) 0.3943(3) 0.4379(3) 0.0385(15) Uani 1 1 d . . . . .
H126 H 0.6520 0.3832 0.4051 0.046 Uiso 1 1 calc R U . . .
C127 C 0.6372(3) 0.4093(3) 0.4828(3) 0.0466(17) Uani 1 1 d . . . . .
H127 H 0.6016 0.4085 0.4799 0.056 Uiso 1 1 calc R U . . .
C128 C 0.6602(2) 0.4255(3) 0.5316(3) 0.0395(15) Uani 1 1 d . . . . .
H128 H 0.6399 0.4357 0.5616 0.047 Uiso 1 1 calc R U . . .
C131 C 0.8051(2) 0.4642(2) 0.8062(2) 0.0243(11) Uani 1 1 d . . . . .
C132 C 0.8231(2) 0.44346(19) 0.8487(2) 0.0215(11) Uani 1 1 d . . . . .
C133 C 0.8472(2) 0.4397(2) 0.9035(2) 0.0240(11) Uani 1 1 d . . . . .
C134 C 0.8684(2) 0.3946(2) 0.9222(3) 0.0311(13) Uani 1 1 d . . . . .
H134 H 0.8669 0.3661 0.8998 0.037 Uiso 1 1 calc R U . . .
C135 C 0.8919(2) 0.3925(3) 0.9747(3) 0.0377(14) Uani 1 1 d . . . . .
H135 H 0.9062 0.3626 0.9873 0.045 Uiso 1 1 calc R U . . .
C136 C 0.8940(3) 0.4347(3) 1.0078(3) 0.0398(15) Uani 1 1 d . . . . .
H136 H 0.9103 0.4332 1.0424 0.048 Uiso 1 1 calc R U . . .
C137 C 0.8721(3) 0.4796(3) 0.9900(3) 0.0410(16) Uani 1 1 d . . . . .
H137 H 0.8732 0.5078 1.0128 0.049 Uiso 1 1 calc R U . . .
C138 C 0.8486(2) 0.4819(2) 0.9380(3) 0.0298(12) Uani 1 1 d . . . . .
H138 H 0.8338 0.5117 0.9261 0.036 Uiso 1 1 calc R U . . .
C141 C 0.7297(2) 0.3794(2) 0.7449(2) 0.0223(11) Uani 1 1 d . . . . .
C142 C 0.6831(2) 0.37490(19) 0.7581(2) 0.0230(11) Uani 1 1 d . . . . .
C143 C 0.6375(2) 0.3540(2) 0.7841(2) 0.0250(11) Uani 1 1 d . . . . .
C144 C 0.6416(3) 0.3072(3) 0.8093(3) 0.0376(14) Uani 1 1 d . . . . .
H144 H 0.6727 0.2900 0.8089 0.045 Uiso 1 1 calc R U . . .
C145 C 0.5986(3) 0.2862(3) 0.8353(3) 0.0438(17) Uani 1 1 d . . . . .
H145 H 0.6013 0.2550 0.8524 0.053 Uiso 1 1 calc R U . . .
C146 C 0.5525(2) 0.3113(3) 0.8359(3) 0.0426(16) Uani 1 1 d . . . . .
H146 H 0.5242 0.2972 0.8537 0.051 Uiso 1 1 calc R U . . .
C147 C 0.5483(2) 0.3576(3) 0.8098(3) 0.0414(16) Uani 1 1 d . . . . .
H147 H 0.5169 0.3744 0.8098 0.050 Uiso 1 1 calc R U . . .
C148 C 0.5908(2) 0.3792(2) 0.7835(3) 0.0326(13) Uani 1 1 d . . . . .
H148 H 0.5879 0.4101 0.7657 0.039 Uiso 1 1 calc R U . . .
Cl1 Cl 0.9832(2) 0.9188(2) 0.5567(3) 0.0938(16) Uiso 0.5 1 d D U P . .
Cl2 Cl 1.0088(4) 1.0134(3) 0.4981(4) 0.126(3) Uiso 0.5 1 d D U P . .
C1S C 1.0107(10) 0.9469(4) 0.4970(8) 0.109(6) Uiso 0.5 1 d D U P . .
P1 P 0.48010(7) 0.66685(6) 0.61980(8) 0.0415(4) Uani 1 1 d . . . . .
F13 F 0.53910(15) 0.65083(15) 0.6233(2) 0.0551(12) Uani 1 1 d . . . . .
F14 F 0.42157(16) 0.6834(2) 0.6195(2) 0.0689(14) Uani 1 1 d . . . . .
F15 F 0.46245(18) 0.61111(15) 0.6349(3) 0.0692(16) Uani 1 1 d . . . . .
F16 F 0.49750(15) 0.72281(14) 0.60543(17) 0.0449(9) Uani 1 1 d . . . . .
F17 F 0.4786(2) 0.6533(2) 0.5554(2) 0.0780(16) Uani 1 1 d . . . . .
F18 F 0.48202(17) 0.68024(14) 0.68609(17) 0.0481(10) Uani 1 1 d . . . . .
C2S C 0.9376(5) 0.6966(5) 0.6994(5) 0.097(2) Uiso 1 1 d . U . . .
H2SA H 0.9204 0.6667 0.6873 0.146 Uiso 1 1 calc R U . B 1
H2SB H 0.9241 0.7069 0.7350 0.146 Uiso 1 1 calc R U . B 1
H2SC H 0.9738 0.6902 0.7028 0.146 Uiso 1 1 calc R U . B 1
C3S C 0.9285(9) 0.7401(7) 0.6547(7) 0.0934(19) Uiso 0.5 1 d G U P C 1
C8S C 0.9437(11) 0.7209(5) 0.6032(8) 0.092(2) Uiso 0.5 1 d G U P C 1
H8S H 0.9520 0.6871 0.5998 0.111 Uiso 0.5 1 calc R U P C 1
C7S C 0.9463(11) 0.7521(7) 0.5567(6) 0.092(2) Uiso 0.5 1 d G U P C 1
H7S H 0.9564 0.7392 0.5222 0.110 Uiso 0.5 1 calc R U P C 1
C6S C 0.9338(9) 0.8026(6) 0.5617(6) 0.091(2) Uiso 0.5 1 d G U P C 1
H6S H 0.9356 0.8235 0.5306 0.110 Uiso 0.5 1 calc R U P C 1
C5S C 0.9187(8) 0.8219(5) 0.6132(8) 0.091(2) Uiso 0.5 1 d G U P C 1
H5S H 0.9103 0.8557 0.6166 0.109 Uiso 0.5 1 calc R U P C 1
C4S C 0.9161(8) 0.7906(7) 0.6597(6) 0.092(2) Uiso 0.5 1 d G U P C 1
H4S H 0.9059 0.8035 0.6942 0.110 Uiso 0.5 1 calc R U P C 1
C16S C 0.9384(8) 0.7249(5) 0.6506(7) 0.081(4) Uiso 0.5 1 d G U P C -1
C21S C 0.9489(10) 0.7205(5) 0.5937(7) 0.086(4) Uiso 0.5 1 d G U P C -1
H21S H 0.9601 0.6900 0.5792 0.104 Uiso 0.5 1 calc R U P C -1
C20S C 0.9426(10) 0.7616(7) 0.5586(5) 0.087(4) Uiso 0.5 1 d G U P C -1
H20S H 0.9497 0.7586 0.5205 0.105 Uiso 0.5 1 calc R U P C -1
C19S C 0.9259(8) 0.8072(5) 0.5803(6) 0.088(4) Uiso 0.5 1 d G U P C -1
H19S H 0.9217 0.8347 0.5568 0.105 Uiso 0.5 1 calc R U P C -1
C18S C 0.9154(7) 0.8116(5) 0.6371(7) 0.075(4) Uiso 0.5 1 d G U P C -1
H18S H 0.9042 0.8421 0.6516 0.091 Uiso 0.5 1 calc R U P C -1
C17S C 0.9217(7) 0.7705(6) 0.6723(5) 0.077(4) Uiso 0.5 1 d G U P C -1
H17S H 0.9147 0.7735 0.7103 0.093 Uiso 0.5 1 calc R U P C -1
C9S C 0.5875(3) 0.6867(3) 0.4893(4) 0.060(2) Uiso 1 1 d . U . . .
H9SA H 0.5943 0.7179 0.4707 0.090 Uiso 1 1 calc R U . . .
H9SB H 0.5739 0.6933 0.5259 0.090 Uiso 1 1 calc R U . . .
H9SC H 0.5629 0.6678 0.4680 0.090 Uiso 1 1 calc R U . . .
C10S C 0.6358(3) 0.6576(3) 0.4943(3) 0.0453(16) Uiso 1 1 d . U . . .
C11S C 0.6773(3) 0.6665(3) 0.4584(3) 0.0454(16) Uiso 1 1 d . U . . .
H11S H 0.6742 0.6917 0.4318 0.054 Uiso 1 1 calc R U . . .
C12S C 0.7221(3) 0.6399(3) 0.4607(3) 0.0428(15) Uiso 1 1 d . U . . .
H12S H 0.7486 0.6467 0.4357 0.051 Uiso 1 1 calc R U . . .
C13S C 0.7276(3) 0.6014(3) 0.5020(3) 0.0538(18) Uiso 1 1 d . U . . .
H13S H 0.7579 0.5832 0.5049 0.065 Uiso 1 1 calc R U . . .
C14S C 0.6861(3) 0.5921(3) 0.5377(4) 0.0551(19) Uiso 1 1 d . U . . .
H14S H 0.6888 0.5667 0.5643 0.066 Uiso 1 1 calc R U . . .
C15S C 0.6416(3) 0.6196(3) 0.5345(3) 0.0501(17) Uiso 1 1 d . U . . .
H15S H 0.6149 0.6129 0.5593 0.060 Uiso 1 1 calc R U . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 Cu2 2.6991(10) . ?
Cu1 Cu3 2.6493(11) . ?
Cu1 Cu4 2.4969(11) . ?
Cu1 Cu5 2.5133(10) . ?
Cu1 Cu6 2.7410(11) . ?
Cu1 Cu7 2.6647(11) . ?
Cu1 Cu8 2.5047(11) . ?
Cu1 Cu9 2.5095(11) . ?
Cu1 C111 2.156(6) . ?
Cu1 C121 2.262(5) . ?
Cu1 C131 2.306(6) . ?
Cu1 C141 2.218(5) . ?
Cu2 Cu3 2.4857(10) . ?
Cu2 Cu4 2.5516(11) . ?
Cu2 O5 2.213(4) . ?
Cu2 N5 2.104(5) . ?
Cu2 C20 2.027(5) . ?
Cu2 C141 1.961(5) . ?
Cu3 Cu9 2.5836(11) . ?
Cu3 O4 2.167(4) . ?
Cu3 N8 2.080(5) . ?
Cu3 C20 2.069(5) . ?
Cu3 C111 1.981(5) . ?
Cu4 O6 1.955(4) . ?
Cu4 C131 2.072(5) . ?
Cu4 C132 2.023(5) . ?
Cu4 C141 2.104(6) . ?
Cu5 Cu6 2.5651(11) . ?
Cu5 O8 1.947(4) . ?
Cu5 C111 2.041(5) . ?
Cu5 C112 2.042(6) . ?
Cu5 C131 2.099(5) . ?
Cu6 Cu7 2.5238(11) . ?
Cu6 O7 2.180(4) . ?
Cu6 N4 2.093(5) . ?
Cu6 C6 2.019(5) . ?
Cu6 C131 1.965(6) . ?
Cu7 Cu8 2.5461(11) . ?
Cu7 O2 2.230(4) . ?
Cu7 N1 2.112(5) . ?
Cu7 C6 2.078(6) . ?
Cu7 C121 1.953(5) . ?
Cu8 O1 1.939(4) . ?
Cu8 C121 2.113(5) . ?
Cu8 C141 2.030(5) . ?
Cu8 C142 2.025(5) . ?
Cu9 O3 1.955(4) . ?
Cu9 C111 2.107(5) . ?
Cu9 C121 2.055(5) . ?
Cu9 C122 2.043(5) . ?
F1 C28 1.309(11) . ?
F2 C28 1.365(13) . ?
F3 C28 1.401(8) . ?
F4 C30 1.240(9) . ?
F5 C30 1.263(10) . ?
F6 C30 1.260(11) . ?
F7 C32 1.334(7) . ?
F8 C32 1.322(7) . ?
F9 C32 1.324(8) . ?
F10 C34 1.327(8) . ?
F11 C34 1.338(7) . ?
F12 C34 1.328(7) . ?
O1 C27 1.259(8) . ?
O2 C27 1.216(8) . ?
O3 C29 1.247(7) . ?
O4 C29 1.240(7) . ?
O5 C31 1.251(7) . ?
O6 C31 1.253(7) . ?
O7 C33 1.230(7) . ?
O8 C33 1.261(7) . ?
N1 C1 1.331(8) . ?
N1 C5 1.339(7) . ?
N2 C5 1.420(8) . ?
N2 C6 1.363(7) . ?
N2 C7 1.394(7) . ?
N3 C6 1.369(7) . ?
N3 C8 1.386(7) . ?
N3 C9 1.418(7) . ?
N4 C9 1.346(7) . ?
N4 C13 1.328(8) . ?
N5 C14 1.344(8) . ?
N5 C18 1.327(8) . ?
N6 C18 1.426(7) . ?
N6 C19 1.391(7) . ?
N6 C20 1.367(7) . ?
N7 C20 1.360(7) . ?
N7 C21 1.399(7) . ?
N7 C22 1.429(8) . ?
N8 C22 1.340(7) . ?
N8 C26 1.342(8) . ?
C1 H1 0.9300 . ?
C1 C2 1.389(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.372(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.392(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.380(8) . ?
C7 H7 0.9300 . ?
C7 C8 1.340(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.373(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.378(9) . ?
C11 H11 0.9300 . ?
C11 C12 1.375(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.394(9) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.389(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.363(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.384(10) . ?
C17 H17 0.9300 . ?
C17 C18 1.376(8) . ?
C19 H19 0.9300 . ?
C19 C21 1.332(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.380(8) . ?
C23 H23 0.9300 . ?
C23 C24 1.365(10) . ?
C24 H24 0.9300 . ?
C24 C25 1.385(10) . ?
C25 H25 0.9300 . ?
C25 C26 1.385(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.512(11) . ?
C29 C30 1.528(8) . ?
C31 C32 1.530(8) . ?
C33 C34 1.537(8) . ?
C35 H35 0.9300 . ?
C35 C36 1.381(19) . ?
C35 C37 1.39(2) . ?
C35 C116 1.675(17) . ?
C35 C117 1.35(2) . ?
C35 C118 1.900(17) . ?
C36 H36 0.9300 . ?
C36 C117 1.820(16) . ?
C36 C118 1.142(18) . ?
C36 C113 1.547(15) . ?
C37 H37 0.9300 . ?
C37 C115 1.341(16) . ?
C37 C116 0.786(18) . ?
C37 C117 1.778(19) . ?
C111 C112 1.250(8) . ?
C112 C113 1.454(7) . ?
C114 H114 0.9300 . ?
C114 C115 1.3900 . ?
C114 C113 1.3900 . ?
C115 H115 0.9300 . ?
C115 H11A 0.9300 . ?
C115 C116 1.3900 . ?
C116 H116 0.9300 . ?
C116 C117 1.3900 . ?
C117 H117 0.9300 . ?
C117 C118 1.3900 . ?
C118 H118 0.9300 . ?
C118 C113 1.3900 . ?
C121 C122 1.263(8) . ?
C122 C123 1.449(8) . ?
C123 C124 1.389(8) . ?
C123 C128 1.394(8) . ?
C124 H124 0.9300 . ?
C124 C125 1.403(9) . ?
C125 H125 0.9300 . ?
C125 C126 1.377(9) . ?
C126 H126 0.9300 . ?
C126 C127 1.389(10) . ?
C127 H127 0.9300 . ?
C127 C128 1.380(9) . ?
C128 H128 0.9300 . ?
C131 C132 1.249(8) . ?
C132 C133 1.454(7) . ?
C133 C134 1.394(8) . ?
C133 C138 1.396(8) . ?
C134 H134 0.9300 . ?
C134 C135 1.397(9) . ?
C135 H135 0.9300 . ?
C135 C136 1.375(10) . ?
C136 H136 0.9300 . ?
C136 C137 1.391(10) . ?
C137 H137 0.9300 . ?
C137 C138 1.385(9) . ?
C138 H138 0.9300 . ?
C141 C142 1.258(8) . ?
C142 C143 1.451(8) . ?
C143 C144 1.388(9) . ?
C143 C148 1.388(8) . ?
C144 H144 0.9300 . ?
C144 C145 1.396(9) . ?
C145 H145 0.9300 . ?
C145 C146 1.374(10) . ?
C146 H146 0.9300 . ?
C146 C147 1.387(10) . ?
C147 H147 0.9300 . ?
C147 C148 1.397(9) . ?
C148 H148 0.9300 . ?
Cl1 Cl2 2.240(11) 5_776 ?
Cl1 C1S 1.763(10) . ?
Cl2 Cl1 2.240(11) 5_776 ?
Cl2 Cl2 0.852(15) 5_776 ?
Cl2 C1S 1.772(10) . ?
Cl2 C1S 1.179(19) 5_776 ?
C1S Cl2 1.179(19) 5_776 ?
P1 F13 1.596(4) . ?
P1 F14 1.586(5) . ?
P1 F15 1.596(4) . ?
P1 F16 1.596(4) . ?
P1 F17 1.580(5) . ?
P1 F18 1.624(4) . ?
C2S H2SA 0.9600 . ?
C2S H2SB 0.9600 . ?
C2S H2SC 0.9600 . ?
C2S C3S 1.593(18) . ?
C2S C16S 1.389(17) . ?
C3S C8S 1.3900 . ?
C3S C4S 1.3900 . ?
C3S C21S 1.64(3) . ?
C3S C18S 1.981(18) . ?
C3S C17S 0.93(2) . ?
C8S H8S 0.9300 . ?
C8S C7S 1.3900 . ?
C8S C16S 1.15(3) . ?
C8S C20S 1.52(3) . ?
C7S H7S 0.9300 . ?
C7S C6S 1.3900 . ?
C7S C21S 1.22(3) . ?
C7S C19S 1.66(2) . ?
C6S H6S 0.9300 . ?
C6S C5S 1.3900 . ?
C6S C20S 1.12(3) . ?
C6S C19S 0.50(2) . ?
C6S C18S 1.879(19) . ?
C5S H5S 0.9300 . ?
C5S C4S 1.3900 . ?
C5S C19S 0.90(2) . ?
C5S C18S 0.639(19) . ?
C5S C17S 1.968(18) . ?
C4S H4S 0.9300 . ?
C4S C16S 1.86(2) . ?
C4S C19S 1.965(18) . ?
C4S C18S 0.777(19) . ?
C4S C17S 0.63(2) . ?
C16S C21S 1.3900 . ?
C16S C17S 1.3900 . ?
C21S H21S 0.9300 . ?
C21S C20S 1.3900 . ?
C20S H20S 0.9300 . ?
C20S C19S 1.3900 . ?
C19S H19S 0.9300 . ?
C19S C18S 1.3900 . ?
C18S H18S 0.9300 . ?
C18S C17S 1.3900 . ?
C17S H17S 0.9300 . ?
C9S H9SA 0.9600 . ?
C9S H9SB 0.9600 . ?
C9S H9SC 0.9600 . ?
C9S C10S 1.483(11) . ?
C10S C11S 1.399(10) . ?
C10S C15S 1.404(11) . ?
C11S H11S 0.9300 . ?
C11S C12S 1.366(10) . ?
C12S H12S 0.9300 . ?
C12S C13S 1.429(11) . ?
C13S H13S 0.9300 . ?
C13S C14S 1.399(12) . ?
C14S H14S 0.9300 . ?
C14S C15S 1.373(11) . ?
C15S H15S 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu2 Cu1 Cu6 139.47(4) . . ?
Cu3 Cu1 Cu2 55.38(3) . . ?
Cu3 Cu1 Cu6 141.95(4) . . ?
Cu3 Cu1 Cu7 142.94(4) . . ?
Cu4 Cu1 Cu2 58.67(3) . . ?
Cu4 Cu1 Cu3 82.54(3) . . ?
Cu4 Cu1 Cu5 97.18(4) . . ?
Cu4 Cu1 Cu6 84.57(3) . . ?
Cu4 Cu1 Cu7 133.95(4) . . ?
Cu4 Cu1 Cu8 97.60(4) . . ?
Cu4 Cu1 Cu9 138.88(4) . . ?
Cu5 Cu1 Cu2 136.26(4) . . ?
Cu5 Cu1 Cu3 88.11(3) . . ?
Cu5 Cu1 Cu6 58.25(3) . . ?
Cu5 Cu1 Cu7 81.77(3) . . ?
Cu7 Cu1 Cu2 141.75(4) . . ?
Cu7 Cu1 Cu6 55.64(3) . . ?
Cu8 Cu1 Cu2 85.63(3) . . ?
Cu8 Cu1 Cu3 134.32(4) . . ?
Cu8 Cu1 Cu5 136.50(4) . . ?
Cu8 Cu1 Cu6 82.81(3) . . ?
Cu8 Cu1 Cu7 58.92(3) . . ?
Cu8 Cu1 Cu9 97.22(4) . . ?
Cu9 Cu1 Cu2 84.59(3) . . ?
Cu9 Cu1 Cu3 60.03(3) . . ?
Cu9 Cu1 Cu5 97.91(4) . . ?
Cu9 Cu1 Cu6 135.33(4) . . ?
Cu9 Cu1 Cu7 86.09(3) . . ?
C111 Cu1 Cu2 102.29(14) . . ?
C111 Cu1 Cu3 47.34(14) . . ?
C111 Cu1 Cu4 113.64(15) . . ?
C111 Cu1 Cu5 51.15(14) . . ?
C111 Cu1 Cu6 108.25(14) . . ?
C111 Cu1 Cu7 101.33(15) . . ?
C111 Cu1 Cu8 147.40(15) . . ?
C111 Cu1 Cu9 53.04(14) . . ?
C111 Cu1 C121 95.1(2) . . ?
C111 Cu1 C131 93.80(19) . . ?
C111 Cu1 C141 147.9(2) . . ?
C121 Cu1 Cu2 102.30(13) . . ?
C121 Cu1 Cu3 109.06(14) . . ?
C121 Cu1 Cu4 147.63(14) . . ?
C121 Cu1 Cu5 112.93(13) . . ?
C121 Cu1 Cu6 100.87(13) . . ?
C121 Cu1 Cu7 45.81(13) . . ?
C121 Cu1 Cu8 52.33(14) . . ?
C121 Cu1 Cu9 50.69(14) . . ?
C121 Cu1 C131 145.47(19) . . ?
C131 Cu1 Cu2 108.25(14) . . ?
C131 Cu1 Cu3 101.45(14) . . ?
C131 Cu1 Cu4 50.93(13) . . ?
C131 Cu1 Cu5 51.41(13) . . ?
C131 Cu1 Cu6 44.80(14) . . ?
C131 Cu1 Cu7 99.70(14) . . ?
C131 Cu1 Cu8 113.92(13) . . ?
C131 Cu1 Cu9 146.72(13) . . ?
C141 Cu1 Cu2 45.72(14) . . ?
C141 Cu1 Cu3 100.58(14) . . ?
C141 Cu1 Cu4 52.60(14) . . ?
C141 Cu1 Cu5 146.22(14) . . ?
C141 Cu1 Cu6 99.55(14) . . ?
C141 Cu1 Cu7 107.59(14) . . ?
C141 Cu1 Cu8 50.47(14) . . ?
C141 Cu1 Cu9 114.79(14) . . ?
C141 Cu1 C121 95.11(19) . . ?
C141 Cu1 C131 94.81(19) . . ?
Cu3 Cu2 Cu1 61.29(3) . . ?
Cu3 Cu2 Cu4 84.79(3) . . ?
Cu4 Cu2 Cu1 56.70(3) . . ?
O5 Cu2 Cu1 139.93(11) . . ?
O5 Cu2 Cu3 126.62(11) . . ?
O5 Cu2 Cu4 83.72(10) . . ?
N5 Cu2 Cu1 115.92(13) . . ?
N5 Cu2 Cu3 103.55(13) . . ?
N5 Cu2 Cu4 164.73(13) . . ?
N5 Cu2 O5 100.79(16) . . ?
C20 Cu2 Cu1 114.69(16) . . ?
C20 Cu2 Cu3 53.40(15) . . ?
C20 Cu2 Cu4 113.94(16) . . ?
C20 Cu2 O5 85.16(18) . . ?
C20 Cu2 N5 81.1(2) . . ?
C141 Cu2 Cu1 54.07(16) . . ?
C141 Cu2 Cu3 114.69(16) . . ?
C141 Cu2 Cu4 53.66(16) . . ?
C141 Cu2 O5 99.13(19) . . ?
C141 Cu2 N5 111.1(2) . . ?
C141 Cu2 C20 165.8(2) . . ?
Cu2 Cu3 Cu1 63.33(3) . . ?
Cu2 Cu3 Cu9 87.55(3) . . ?
Cu9 Cu3 Cu1 57.30(3) . . ?
O4 Cu3 Cu1 139.69(11) . . ?
O4 Cu3 Cu2 124.92(11) . . ?
O4 Cu3 Cu9 82.70(10) . . ?
N8 Cu3 Cu1 116.79(13) . . ?
N8 Cu3 Cu2 104.71(13) . . ?
N8 Cu3 Cu9 162.41(13) . . ?
N8 Cu3 O4 99.79(16) . . ?
C20 Cu3 Cu1 115.20(15) . . ?
C20 Cu3 Cu2 51.88(15) . . ?
C20 Cu3 Cu9 115.78(16) . . ?
C20 Cu3 O4 84.84(18) . . ?
C20 Cu3 N8 81.8(2) . . ?
C111 Cu3 Cu1 53.15(16) . . ?
C111 Cu3 Cu2 115.92(16) . . ?
C111 Cu3 Cu9 53.00(15) . . ?
C111 Cu3 O4 100.36(19) . . ?
C111 Cu3 N8 109.6(2) . . ?
C111 Cu3 C20 166.2(2) . . ?
Cu1 Cu4 Cu2 64.63(3) . . ?
O6 Cu4 Cu1 152.21(12) . . ?
O6 Cu4 Cu2 87.61(12) . . ?
O6 Cu4 C131 146.0(2) . . ?
O6 Cu4 C132 110.60(19) . . ?
O6 Cu4 C141 106.22(19) . . ?
C131 Cu4 Cu1 59.76(16) . . ?
C131 Cu4 Cu2 122.59(16) . . ?
C131 Cu4 C141 105.8(2) . . ?
C132 Cu4 Cu1 93.79(15) . . ?
C132 Cu4 Cu2 147.46(16) . . ?
C132 Cu4 C131 35.5(2) . . ?
C132 Cu4 C141 139.2(2) . . ?
C141 Cu4 Cu1 56.87(15) . . ?
C141 Cu4 Cu2 48.66(15) . . ?
Cu1 Cu5 Cu6 65.32(3) . . ?
O8 Cu5 Cu1 155.00(13) . . ?
O8 Cu5 Cu6 90.42(13) . . ?
O8 Cu5 C111 145.1(2) . . ?
O8 Cu5 C112 109.7(2) . . ?
O8 Cu5 C131 109.9(2) . . ?
C111 Cu5 Cu1 55.35(15) . . ?
C111 Cu5 Cu6 119.26(16) . . ?
C111 Cu5 C112 35.7(2) . . ?
C111 Cu5 C131 103.9(2) . . ?
C112 Cu5 Cu1 90.44(17) . . ?
C112 Cu5 Cu6 148.70(18) . . ?
C112 Cu5 C131 135.4(2) . . ?
C131 Cu5 Cu1 59.18(16) . . ?
C131 Cu5 Cu6 48.57(15) . . ?
Cu5 Cu6 Cu1 56.43(3) . . ?
Cu7 Cu6 Cu1 60.65(3) . . ?
Cu7 Cu6 Cu5 83.57(3) . . ?
O7 Cu6 Cu1 136.94(11) . . ?
O7 Cu6 Cu5 80.55(11) . . ?
O7 Cu6 Cu7 121.09(12) . . ?
N4 Cu6 Cu1 114.81(13) . . ?
N4 Cu6 Cu5 159.17(13) . . ?
N4 Cu6 Cu7 109.29(14) . . ?
N4 Cu6 O7 104.92(17) . . ?
C6 Cu6 Cu1 113.12(16) . . ?
C6 Cu6 Cu5 119.19(17) . . ?
C6 Cu6 Cu7 53.04(16) . . ?
C6 Cu6 O7 87.86(19) . . ?
C6 Cu6 N4 81.4(2) . . ?
C131 Cu6 Cu1 55.78(17) . . ?
C131 Cu6 Cu5 53.22(16) . . ?
C131 Cu6 Cu7 115.42(17) . . ?
C131 Cu6 O7 98.7(2) . . ?
C131 Cu6 N4 106.0(2) . . ?
C131 Cu6 C6 168.4(2) . . ?
Cu6 Cu7 Cu1 63.71(3) . . ?
Cu6 Cu7 Cu8 86.50(3) . . ?
Cu8 Cu7 Cu1 57.40(3) . . ?
O2 Cu7 Cu1 138.11(11) . . ?
O2 Cu7 Cu6 124.50(12) . . ?
O2 Cu7 Cu8 81.18(11) . . ?
N1 Cu7 Cu1 120.41(13) . . ?
N1 Cu7 Cu6 99.66(13) . . ?
N1 Cu7 Cu8 171.69(14) . . ?
N1 Cu7 O2 99.63(17) . . ?
C6 Cu7 Cu1 114.08(15) . . ?
C6 Cu7 Cu6 50.94(15) . . ?
C6 Cu7 Cu8 107.27(16) . . ?
C6 Cu7 O2 81.87(19) . . ?
C6 Cu7 N1 81.0(2) . . ?
C121 Cu7 Cu1 56.16(16) . . ?
C121 Cu7 Cu6 119.04(16) . . ?
C121 Cu7 Cu8 54.10(16) . . ?
C121 Cu7 O2 96.07(19) . . ?
C121 Cu7 N1 117.7(2) . . ?
C121 Cu7 C6 161.2(2) . . ?
Cu1 Cu8 Cu7 63.68(3) . . ?
O1 Cu8 Cu1 153.93(13) . . ?
O1 Cu8 Cu7 90.27(13) . . ?
O1 Cu8 C121 106.34(19) . . ?
O1 Cu8 C141 146.3(2) . . ?
O1 Cu8 C142 110.2(2) . . ?
C121 Cu8 Cu1 57.93(15) . . ?
C121 Cu8 Cu7 48.48(14) . . ?
C141 Cu8 Cu1 57.42(16) . . ?
C141 Cu8 Cu7 118.84(16) . . ?
C141 Cu8 C121 105.9(2) . . ?
C142 Cu8 Cu1 91.81(16) . . ?
C142 Cu8 Cu7 142.81(16) . . ?
C142 Cu8 C121 140.7(2) . . ?
C142 Cu8 C141 36.2(2) . . ?
Cu1 Cu9 Cu3 62.67(3) . . ?
O3 Cu9 Cu1 150.26(12) . . ?
O3 Cu9 Cu3 87.62(12) . . ?
O3 Cu9 C111 107.24(19) . . ?
O3 Cu9 C121 148.60(19) . . ?
O3 Cu9 C122 112.77(19) . . ?
C111 Cu9 Cu1 54.85(15) . . ?
C111 Cu9 Cu3 48.68(15) . . ?
C121 Cu9 Cu1 58.41(15) . . ?
C121 Cu9 Cu3 119.04(15) . . ?
C121 Cu9 C111 103.2(2) . . ?
C122 Cu9 Cu1 91.96(15) . . ?
C122 Cu9 Cu3 141.78(15) . . ?
C122 Cu9 C111 138.3(2) . . ?
C122 Cu9 C121 35.9(2) . . ?
C27 O1 Cu8 120.4(4) . . ?
C27 O2 Cu7 116.4(4) . . ?
C29 O3 Cu9 122.3(4) . . ?
C29 O4 Cu3 117.1(3) . . ?
C31 O5 Cu2 115.0(3) . . ?
C31 O6 Cu4 123.5(4) . . ?
C33 O7 Cu6 119.1(4) . . ?
C33 O8 Cu5 119.3(4) . . ?
C1 N1 Cu7 131.2(4) . . ?
C1 N1 C5 117.7(5) . . ?
C5 N1 Cu7 110.9(4) . . ?
C6 N2 C5 121.5(5) . . ?
C6 N2 C7 111.6(5) . . ?
C7 N2 C5 126.7(5) . . ?
C6 N3 C8 111.7(5) . . ?
C6 N3 C9 120.8(5) . . ?
C8 N3 C9 126.5(5) . . ?
C9 N4 Cu6 112.3(4) . . ?
C13 N4 Cu6 129.4(4) . . ?
C13 N4 C9 117.4(5) . . ?
C14 N5 Cu2 129.5(4) . . ?
C18 N5 Cu2 112.0(4) . . ?
C18 N5 C14 118.2(5) . . ?
C19 N6 C18 128.4(5) . . ?
C20 N6 C18 120.3(4) . . ?
C20 N6 C19 111.2(5) . . ?
C20 N7 C21 111.5(5) . . ?
C20 N7 C22 121.3(5) . . ?
C21 N7 C22 126.7(5) . . ?
C22 N8 Cu3 111.9(4) . . ?
C22 N8 C26 117.0(5) . . ?
C26 N8 Cu3 130.7(4) . . ?
N1 C1 H1 119.0 . . ?
N1 C1 C2 122.1(6) . . ?
C2 C1 H1 119.0 . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.2(6) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.9(5) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 121.7 . . ?
C5 C4 C3 116.5(6) . . ?
C5 C4 H4 121.7 . . ?
N1 C5 N2 113.4(5) . . ?
N1 C5 C4 124.6(5) . . ?
C4 C5 N2 121.9(5) . . ?
Cu6 C6 Cu7 76.02(19) . . ?
N2 C6 Cu6 135.1(4) . . ?
N2 C6 Cu7 103.6(4) . . ?
N2 C6 N3 103.2(4) . . ?
N3 C6 Cu6 109.1(4) . . ?
N3 C6 Cu7 132.8(4) . . ?
N2 C7 H7 126.7 . . ?
C8 C7 N2 106.6(5) . . ?
C8 C7 H7 126.7 . . ?
N3 C8 H8 126.6 . . ?
C7 C8 N3 106.9(5) . . ?
C7 C8 H8 126.6 . . ?
N4 C9 N3 112.9(5) . . ?
N4 C9 C10 124.0(5) . . ?
C10 C9 N3 123.0(5) . . ?
C9 C10 H10 121.3 . . ?
C9 C10 C11 117.4(6) . . ?
C11 C10 H10 121.3 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(6) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.9 . . ?
C11 C12 C13 118.1(6) . . ?
C13 C12 H12 120.9 . . ?
N4 C13 C12 122.7(6) . . ?
N4 C13 H13 118.6 . . ?
C12 C13 H13 118.6 . . ?
N5 C14 H14 119.2 . . ?
N5 C14 C15 121.6(6) . . ?
C15 C14 H14 119.2 . . ?
C14 C15 H15 120.4 . . ?
C16 C15 C14 119.2(6) . . ?
C16 C15 H15 120.4 . . ?
C15 C16 H16 120.2 . . ?
C15 C16 C17 119.6(6) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 121.1 . . ?
C18 C17 C16 117.7(6) . . ?
C18 C17 H17 121.1 . . ?
N5 C18 N6 113.7(5) . . ?
N5 C18 C17 123.7(6) . . ?
C17 C18 N6 122.6(5) . . ?
N6 C19 H19 126.4 . . ?
C21 C19 N6 107.2(5) . . ?
C21 C19 H19 126.4 . . ?
Cu2 C20 Cu3 74.72(18) . . ?
N6 C20 Cu2 107.7(4) . . ?
N6 C20 Cu3 133.0(4) . . ?
N7 C20 Cu2 136.1(4) . . ?
N7 C20 Cu3 104.9(4) . . ?
N7 C20 N6 103.5(4) . . ?
N7 C21 H21 126.7 . . ?
C19 C21 N7 106.5(5) . . ?
C19 C21 H21 126.7 . . ?
N8 C22 N7 113.0(5) . . ?
N8 C22 C23 124.3(6) . . ?
C23 C22 N7 122.7(5) . . ?
C22 C23 H23 121.4 . . ?
C24 C23 C22 117.2(6) . . ?
C24 C23 H23 121.4 . . ?
C23 C24 H24 119.6 . . ?
C23 C24 C25 120.7(6) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 121.1 . . ?
C24 C25 C26 117.8(6) . . ?
C26 C25 H25 121.1 . . ?
N8 C26 C25 122.9(6) . . ?
N8 C26 H26 118.6 . . ?
C25 C26 H26 118.6 . . ?
O1 C27 C28 117.8(6) . . ?
O2 C27 O1 130.3(6) . . ?
O2 C27 C28 111.6(6) . . ?
F1 C28 F2 111.1(8) . . ?
F1 C28 F3 107.8(8) . . ?
F1 C28 C27 113.7(8) . . ?
F2 C28 F3 99.3(9) . . ?
F2 C28 C27 113.4(8) . . ?
F3 C28 C27 110.4(7) . . ?
O3 C29 C30 116.1(5) . . ?
O4 C29 O3 129.4(5) . . ?
O4 C29 C30 114.5(5) . . ?
F4 C30 F5 106.7(8) . . ?
F4 C30 F6 108.7(8) . . ?
F4 C30 C29 115.3(5) . . ?
F5 C30 C29 112.2(6) . . ?
F6 C30 F5 99.6(8) . . ?
F6 C30 C29 113.1(7) . . ?
O5 C31 O6 129.0(5) . . ?
O5 C31 C32 117.3(5) . . ?
O6 C31 C32 113.6(5) . . ?
F7 C32 C31 109.8(5) . . ?
F8 C32 F7 105.6(5) . . ?
F8 C32 F9 109.5(5) . . ?
F8 C32 C31 113.6(5) . . ?
F9 C32 F7 105.7(5) . . ?
F9 C32 C31 112.1(5) . . ?
O7 C33 O8 129.2(5) . . ?
O7 C33 C34 116.5(5) . . ?
O8 C33 C34 114.3(5) . . ?
F10 C34 F11 106.4(5) . . ?
F10 C34 F12 106.8(5) . . ?
F10 C34 C33 111.8(5) . . ?
F11 C34 C33 110.1(5) . . ?
F12 C34 F11 107.8(5) . . ?
F12 C34 C33 113.6(5) . . ?
C36 C35 H35 120.2 . . ?
C36 C35 C37 119.6(13) . . ?
C36 C35 C116 111.5(11) . . ?
C36 C35 C118 36.6(8) . . ?
C37 C35 H35 120.2 . . ?
C37 C35 C116 27.7(8) . . ?
C37 C35 C118 105.0(11) . . ?
C116 C35 H35 121.0 . . ?
C116 C35 C118 84.4(8) . . ?
C117 C35 H35 105.4 . . ?
C117 C35 C36 83.6(11) . . ?
C117 C35 C37 81.1(12) . . ?
C117 C35 C116 53.4(6) . . ?
C117 C35 C118 47.0(5) . . ?
C118 C35 H35 122.8 . . ?
C35 C36 H36 120.5 . . ?
C35 C36 C117 47.5(9) . . ?
C35 C36 C113 119.1(12) . . ?
C117 C36 H36 130.6 . . ?
C118 C36 C35 97.3(13) . . ?
C118 C36 H36 111.6 . . ?
C118 C36 C117 49.8(6) . . ?
C118 C36 C113 60.0(7) . . ?
C113 C36 H36 120.5 . . ?
C113 C36 C117 90.9(8) . . ?
C35 C37 H37 120.0 . . ?
C35 C37 C117 48.6(10) . . ?
C115 C37 C35 120.0(12) . . ?
C115 C37 H37 120.0 . . ?
C115 C37 C117 100.1(10) . . ?
C116 C37 C35 97.1(19) . . ?
C116 C37 H37 96.1 . . ?
C116 C37 C115 76.7(12) . . ?
C116 C37 C117 48.6(11) . . ?
C117 C37 H37 119.1 . . ?
Cu3 C111 Cu1 79.51(19) . . ?
Cu3 C111 Cu5 126.4(3) . . ?
Cu3 C111 Cu9 78.31(19) . . ?
Cu5 C111 Cu1 73.51(18) . . ?
Cu5 C111 Cu9 131.9(3) . . ?
Cu9 C111 Cu1 72.11(17) . . ?
C112 C111 Cu1 143.9(5) . . ?
C112 C111 Cu3 131.3(5) . . ?
C112 C111 Cu5 72.2(4) . . ?
C112 C111 Cu9 125.8(5) . . ?
C111 C112 Cu5 72.1(4) . . ?
C111 C112 C113 157.0(6) . . ?
C113 C112 Cu5 130.9(4) . . ?
C115 C114 H114 120.0 . . ?
C115 C114 C113 120.0 . . ?
C113 C114 H114 120.0 . . ?
C37 C115 C114 118.8(7) . . ?
C37 C115 H115 120.6 . . ?
C37 C115 H11A 110.7 . . ?
C37 C115 C116 33.4(8) . . ?
C114 C115 H115 120.6 . . ?
C114 C115 H11A 120.0 . . ?
H115 C115 H11A 33.0 . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 109.2 . . ?
C116 C115 H11A 120.0 . . ?
C35 C116 H116 116.5 . . ?
C37 C116 C35 55.1(14) . . ?
C37 C116 C115 69.9(12) . . ?
C37 C116 H116 93.6 . . ?
C37 C116 C117 106.3(14) . . ?
C115 C116 C35 100.4(6) . . ?
C115 C116 H116 120.0 . . ?
C115 C116 C117 120.0 . . ?
C117 C116 C35 51.2(7) . . ?
C117 C116 H116 120.0 . . ?
C35 C117 C36 49.0(7) . . ?
C35 C117 C37 50.3(8) . . ?
C35 C117 C116 75.4(7) . . ?
C35 C117 H117 106.9 . . ?
C35 C117 C118 87.8(6) . . ?
C36 C117 H117 123.2 . . ?
C37 C117 C36 83.3(8) . . ?
C37 C117 H117 122.9 . . ?
C116 C117 C36 103.3(6) . . ?
C116 C117 C37 25.1(6) . . ?
C116 C117 H117 120.0 . . ?
C116 C117 C118 120.0 . . ?
C118 C117 C36 38.8(5) . . ?
C118 C117 C37 111.3(5) . . ?
C118 C117 H117 120.0 . . ?
C35 C118 H118 123.0 . . ?
C36 C118 C35 46.2(9) . . ?
C36 C118 C117 91.4(8) . . ?
C36 C118 H118 103.9 . . ?
C36 C118 C113 74.6(8) . . ?
C117 C118 C35 45.2(6) . . ?
C117 C118 H118 120.0 . . ?
C113 C118 C35 99.1(5) . . ?
C113 C118 C117 120.0 . . ?
C113 C118 H118 120.0 . . ?
C112 C113 C36 114.2(7) . . ?
C114 C113 C36 105.8(6) . . ?
C114 C113 C112 116.7(4) . . ?
C118 C113 C36 45.3(7) . . ?
C118 C113 C112 123.1(4) . . ?
C118 C113 C114 120.0 . . ?
Cu7 C121 Cu1 78.03(19) . . ?
Cu7 C121 Cu8 77.42(19) . . ?
Cu7 C121 Cu9 123.6(3) . . ?
Cu8 C121 Cu1 69.74(16) . . ?
Cu9 C121 Cu1 70.89(16) . . ?
Cu9 C121 Cu8 129.0(3) . . ?
C122 C121 Cu1 136.0(4) . . ?
C122 C121 Cu7 143.7(4) . . ?
C122 C121 Cu8 121.0(4) . . ?
C122 C121 Cu9 71.5(3) . . ?
C121 C122 Cu9 72.6(3) . . ?
C121 C122 C123 158.1(5) . . ?
C123 C122 Cu9 129.1(4) . . ?
C124 C123 C122 121.3(5) . . ?
C124 C123 C128 119.4(5) . . ?
C128 C123 C122 119.3(5) . . ?
C123 C124 H124 120.0 . . ?
C123 C124 C125 120.0(6) . . ?
C125 C124 H124 120.0 . . ?
C124 C125 H125 120.2 . . ?
C126 C125 C124 119.7(6) . . ?
C126 C125 H125 120.2 . . ?
C125 C126 H126 119.7 . . ?
C125 C126 C127 120.7(6) . . ?
C127 C126 H126 119.7 . . ?
C126 C127 H127 120.2 . . ?
C128 C127 C126 119.7(6) . . ?
C128 C127 H127 120.2 . . ?
C123 C128 H128 119.7 . . ?
C127 C128 C123 120.7(6) . . ?
C127 C128 H128 119.7 . . ?
Cu4 C131 Cu1 69.31(17) . . ?
Cu4 C131 Cu5 128.6(3) . . ?
Cu5 C131 Cu1 69.40(17) . . ?
Cu6 C131 Cu1 79.4(2) . . ?
Cu6 C131 Cu4 121.9(3) . . ?
Cu6 C131 Cu5 78.2(2) . . ?
C132 C131 Cu1 135.7(4) . . ?
C132 C131 Cu4 70.1(3) . . ?
C132 C131 Cu5 127.9(4) . . ?
C132 C131 Cu6 138.9(5) . . ?
C131 C132 Cu4 74.4(3) . . ?
C131 C132 C133 157.7(5) . . ?
C133 C132 Cu4 127.6(4) . . ?
C134 C133 C132 121.3(5) . . ?
C134 C133 C138 119.6(5) . . ?
C138 C133 C132 119.2(5) . . ?
C133 C134 H134 120.1 . . ?
C133 C134 C135 119.8(6) . . ?
C135 C134 H134 120.1 . . ?
C134 C135 H135 120.0 . . ?
C136 C135 C134 120.0(6) . . ?
C136 C135 H135 120.0 . . ?
C135 C136 H136 119.6 . . ?
C135 C136 C137 120.7(6) . . ?
C137 C136 H136 119.6 . . ?
C136 C137 H137 120.2 . . ?
C138 C137 C136 119.5(6) . . ?
C138 C137 H137 120.2 . . ?
C133 C138 H138 119.8 . . ?
C137 C138 C133 120.4(6) . . ?
C137 C138 H138 119.8 . . ?
Cu2 C141 Cu1 80.21(19) . . ?
Cu2 C141 Cu4 77.68(19) . . ?
Cu2 C141 Cu8 125.0(3) . . ?
Cu4 C141 Cu1 70.53(17) . . ?
Cu8 C141 Cu1 72.10(17) . . ?
Cu8 C141 Cu4 131.1(3) . . ?
C142 C141 Cu1 138.7(4) . . ?
C142 C141 Cu2 138.2(4) . . ?
C142 C141 Cu4 122.8(4) . . ?
C142 C141 Cu8 71.7(3) . . ?
C141 C142 Cu8 72.2(3) . . ?
C141 C142 C143 158.8(6) . . ?
C143 C142 Cu8 128.9(4) . . ?
C144 C143 C142 117.9(5) . . ?
C144 C143 C148 120.4(5) . . ?
C148 C143 C142 121.8(5) . . ?
C143 C144 H144 120.3 . . ?
C143 C144 C145 119.4(6) . . ?
C145 C144 H144 120.3 . . ?
C144 C145 H145 119.7 . . ?
C146 C145 C144 120.7(6) . . ?
C146 C145 H145 119.7 . . ?
C145 C146 H146 120.1 . . ?
C145 C146 C147 119.8(6) . . ?
C147 C146 H146 120.1 . . ?
C146 C147 H147 119.8 . . ?
C146 C147 C148 120.3(6) . . ?
C148 C147 H147 119.8 . . ?
C143 C148 C147 119.4(6) . . ?
C143 C148 H148 120.3 . . ?
C147 C148 H148 120.3 . . ?
C1S Cl1 Cl2 31.5(6) . 5_776 ?
Cl2 Cl2 Cl1 142.0(16) 5_776 5_776 ?
Cl2 Cl2 C1S 34.9(13) 5_776 . ?
Cl2 Cl2 C1S 120.7(19) 5_776 5_776 ?
C1S Cl2 Cl1 51.3(7) 5_776 5_776 ?
C1S Cl2 Cl1 142.7(7) . 5_776 ?
C1S Cl2 C1S 155.6(8) 5_776 . ?
Cl1 C1S Cl2 113.7(8) . . ?
Cl2 C1S Cl1 97.2(10) 5_776 . ?
Cl2 C1S Cl2 24.4(8) 5_776 . ?
F13 P1 F18 88.8(3) . . ?
F14 P1 F13 177.2(3) . . ?
F14 P1 F15 89.1(3) . . ?
F14 P1 F16 90.7(3) . . ?
F14 P1 F18 88.5(3) . . ?
F15 P1 F13 90.9(3) . . ?
F15 P1 F16 179.3(3) . . ?
F15 P1 F18 89.6(3) . . ?
F16 P1 F13 89.3(2) . . ?
F16 P1 F18 89.8(2) . . ?
F17 P1 F13 90.8(3) . . ?
F17 P1 F14 92.0(3) . . ?
F17 P1 F15 90.0(3) . . ?
F17 P1 F16 90.6(3) . . ?
F17 P1 F18 179.4(3) . . ?
H2SA C2S H2SB 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
C3S C2S H2SA 109.5 . . ?
C3S C2S H2SB 109.5 . . ?
C3S C2S H2SC 109.5 . . ?
C16S C2S H2SA 101.8 . . ?
C16S C2S H2SB 126.5 . . ?
C16S C2S H2SC 98.9 . . ?
C16S C2S C3S 17.2(10) . . ?
C2S C3S C21S 108.5(13) . . ?
C2S C3S C18S 150.1(15) . . ?
C8S C3S C2S 106.4(13) . . ?
C8S C3S C4S 120.0 . . ?
C8S C3S C21S 3.7(17) . . ?
C8S C3S C18S 102.5(6) . . ?
C4S C3S C2S 132.9(13) . . ?
C4S C3S C21S 117.5(9) . . ?
C4S C3S C18S 17.5(6) . . ?
C21S C3S C18S 100.0(10) . . ?
C17S C3S C2S 111.1(18) . . ?
C17S C3S C8S 140.9(12) . . ?
C17S C3S C4S 21.9(12) . . ?
C17S C3S C21S 138.0(19) . . ?
C17S C3S C18S 39.1(8) . . ?
C3S C8S H8S 120.0 . . ?
C3S C8S C20S 110.6(8) . . ?
C7S C8S C3S 120.0 . . ?
C7S C8S H8S 120.0 . . ?
C7S C8S C20S 9.5(8) . . ?
C16S C8S C3S 19.3(11) . . ?
C16S C8S H8S 101.8 . . ?
C16S C8S C7S 137.6(10) . . ?
C16S C8S C20S 128.5(16) . . ?
C20S C8S H8S 129.4 . . ?
C8S C7S H7S 120.0 . . ?
C8S C7S C19S 104.1(6) . . ?
C6S C7S C8S 120.0 . . ?
C6S C7S H7S 120.0 . . ?
C6S C7S C19S 16.1(7) . . ?
C21S C7S C8S 9.0(13) . . ?
C21S C7S H7S 111.7 . . ?
C21S C7S C6S 128.1(10) . . ?
C21S C7S C19S 112.4(13) . . ?
C19S C7S H7S 135.9 . . ?
C7S C6S H6S 120.0 . . ?
C7S C6S C5S 120.0 . . ?
C7S C6S C18S 105.4(6) . . ?
C5S C6S H6S 120.0 . . ?
C5S C6S C18S 14.6(6) . . ?
C20S C6S C7S 2(2) . . ?
C20S C6S H6S 121.5 . . ?
C20S C6S C5S 118.5(11) . . ?
C20S C6S C18S 103.9(13) . . ?
C19S C6S C7S 114(3) . . ?
C19S C6S H6S 125.4 . . ?
C19S C6S C5S 10(4) . . ?
C19S C6S C20S 112(3) . . ?
C19S C6S C18S 12(3) . . ?
C18S C6S H6S 134.6 . . ?
C6S C5S H5S 120.0 . . ?
C6S C5S C17S 111.5(7) . . ?
C4S C5S C6S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C4S C5S C17S 8.9(7) . . ?
C19S C5S C6S 6(2) . . ?
C19S C5S H5S 123.1 . . ?
C19S C5S C4S 116.6(14) . . ?
C19S C5S C17S 108.4(15) . . ?
C18S C5S C6S 132.1(17) . . ?
C18S C5S H5S 107.9 . . ?
C18S C5S C4S 12.2(17) . . ?
C18S C5S C19S 129(3) . . ?
C18S C5S C17S 21.0(13) . . ?
C17S C5S H5S 128.4 . . ?
C3S C4S H4S 120.0 . . ?
C3S C4S C16S 5.1(13) . . ?
C3S C4S C19S 96.0(7) . . ?
C5S C4S C3S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C5S C4S C16S 117.1(9) . . ?
C5S C4S C19S 24.1(7) . . ?
C16S C4S H4S 122.7 . . ?
C16S C4S C19S 93.3(8) . . ?
C19S C4S H4S 144.0 . . ?
C18S C4S C3S 129.9(14) . . ?
C18S C4S C5S 10.0(14) . . ?
C18S C4S H4S 110.0 . . ?
C18S C4S C16S 127.1(18) . . ?
C18S C4S C19S 34.0(10) . . ?
C17S C4S C3S 33(2) . . ?
C17S C4S C5S 151(2) . . ?
C17S C4S H4S 87.6 . . ?
C17S C4S C16S 35.2(13) . . ?
C17S C4S C19S 128(2) . . ?
C17S C4S C18S 161(4) . . ?
C2S C16S C4S 114.1(14) . . ?
C2S C16S C21S 141.0(12) . . ?
C2S C16S C17S 99.0(12) . . ?
C8S C16S C2S 141.2(15) . . ?
C8S C16S C4S 104.1(13) . . ?
C8S C16S C21S 5(3) . . ?
C8S C16S C17S 119.3(11) . . ?
C21S C16S C4S 104.9(6) . . ?
C21S C16S C17S 120.0 . . ?
C17S C16S C4S 15.2(6) . . ?
C3S C21S H21S 135.4 . . ?
C7S C21S C3S 114.0(13) . . ?
C7S C21S C16S 129.6(9) . . ?
C7S C21S H21S 110.4 . . ?
C7S C21S C20S 9.6(9) . . ?
C16S C21S C3S 16.1(7) . . ?
C16S C21S H21S 120.0 . . ?
C20S C21S C3S 104.4(6) . . ?
C20S C21S C16S 120.0 . . ?
C20S C21S H21S 120.0 . . ?
C8S C20S H20S 128.3 . . ?
C6S C20S C8S 130.8(15) . . ?
C6S C20S C21S 138.9(10) . . ?
C6S C20S H20S 100.9 . . ?
C6S C20S C19S 19.6(10) . . ?
C21S C20S C8S 9.0(10) . . ?
C21S C20S H20S 120.0 . . ?
C19S C20S C8S 111.6(8) . . ?
C19S C20S C21S 120.0 . . ?
C19S C20S H20S 120.0 . . ?
C7S C19S C4S 99.9(10) . . ?
C7S C19S H19S 122.0 . . ?
C6S C19S C7S 50(2) . . ?
C6S C19S C5S 164(6) . . ?
C6S C19S C4S 148(3) . . ?
C6S C19S C20S 48(3) . . ?
C6S C19S H19S 72.9 . . ?
C6S C19S C18S 164(4) . . ?
C5S C19S C7S 138.6(19) . . ?
C5S C19S C4S 39.2(8) . . ?
C5S C19S C20S 140.6(12) . . ?
C5S C19S H19S 99.2 . . ?
C5S C19S C18S 21.1(12) . . ?
C4S C19S H19S 138.2 . . ?
C20S C19S C7S 2.0(11) . . ?
C20S C19S C4S 101.8(6) . . ?
C20S C19S H19S 120.0 . . ?
C20S C19S C18S 120.0 . . ?
C18S C19S C7S 118.0(10) . . ?
C18S C19S C4S 18.2(6) . . ?
C18S C19S H19S 120.0 . . ?
C3S C18S H18S 144.6 . . ?
C6S C18S C3S 92.1(8) . . ?
C6S C18S H18S 123.3 . . ?
C5S C18S C3S 125(2) . . ?
C5S C18S C6S 33.3(13) . . ?
C5S C18S C4S 158(3) . . ?
C5S C18S C19S 30.4(19) . . ?
C5S C18S H18S 90.1 . . ?
C5S C18S C17S 150(2) . . ?
C4S C18S C3S 32.5(10) . . ?
C4S C18S C6S 124.6(18) . . ?
C4S C18S C19S 127.8(14) . . ?
C4S C18S H18S 112.1 . . ?
C4S C18S C17S 8.5(17) . . ?
C19S C18S C3S 95.2(7) . . ?
C19S C18S C6S 4.3(11) . . ?
C19S C18S H18S 120.0 . . ?
C17S C18S C3S 25.0(7) . . ?
C17S C18S C6S 116.7(8) . . ?
C17S C18S C19S 120.0 . . ?
C17S C18S H18S 120.0 . . ?
C3S C17S C5S 106.9(14) . . ?
C3S C17S C16S 8(2) . . ?
C3S C17S C18S 115.9(13) . . ?
C3S C17S H17S 123.6 . . ?
C5S C17S H17S 129.3 . . ?
C4S C17S C3S 125(3) . . ?
C4S C17S C5S 19.9(15) . . ?
C4S C17S C16S 129.6(17) . . ?
C4S C17S C18S 11(2) . . ?
C4S C17S H17S 110.3 . . ?
C16S C17S C5S 110.7(6) . . ?
C16S C17S H17S 120.0 . . ?
C18S C17S C5S 9.5(7) . . ?
C18S C17S C16S 120.0 . . ?
C18S C17S H17S 120.0 . . ?
H9SA C9S H9SB 109.5 . . ?
H9SA C9S H9SC 109.5 . . ?
H9SB C9S H9SC 109.5 . . ?
C10S C9S H9SA 109.5 . . ?
C10S C9S H9SB 109.5 . . ?
C10S C9S H9SC 109.5 . . ?
C11S C10S C9S 121.1(7) . . ?
C11S C10S C15S 117.3(7) . . ?
C15S C10S C9S 121.6(7) . . ?
C10S C11S H11S 118.4 . . ?
C12S C11S C10S 123.1(7) . . ?
C12S C11S H11S 118.4 . . ?
C11S C12S H12S 120.5 . . ?
C11S C12S C13S 119.0(7) . . ?
C13S C12S H12S 120.5 . . ?
C12S C13S H13S 120.9 . . ?
C14S C13S C12S 118.2(8) . . ?
C14S C13S H13S 120.9 . . ?
C13S C14S H14S 119.3 . . ?
C15S C14S C13S 121.5(8) . . ?
C15S C14S H14S 119.3 . . ?
C10S C15S H15S 119.5 . . ?
C14S C15S C10S 120.9(8) . . ?
C14S C15S H15S 119.5 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 C111 C112 Cu5 19.1(7) . . . . ?
Cu1 C111 C112 C113 -160.4(12) . . . . ?
Cu1 C121 C122 Cu9 -32.6(5) . . . . ?
Cu1 C121 C122 C123 139.5(12) . . . . ?
Cu1 C131 C132 Cu4 -24.8(5) . . . . ?
Cu1 C131 C132 C133 164.1(11) . . . . ?
Cu1 C141 C142 Cu8 30.0(5) . . . . ?
Cu1 C141 C142 C143 -156.5(12) . . . . ?
Cu2 O5 C31 O6 4.4(7) . . . . ?
Cu2 O5 C31 C32 -178.4(4) . . . . ?
Cu2 N5 C14 C15 172.9(4) . . . . ?
Cu2 N5 C18 N6 4.8(6) . . . . ?
Cu2 N5 C18 C17 -174.6(5) . . . . ?
Cu2 C141 C142 Cu8 -122.4(6) . . . . ?
Cu2 C141 C142 C143 51.1(19) . . . . ?
Cu3 O4 C29 O3 8.5(8) . . . . ?
Cu3 O4 C29 C30 -173.5(4) . . . . ?
Cu3 N8 C22 N7 6.8(6) . . . . ?
Cu3 N8 C22 C23 -173.8(5) . . . . ?
Cu3 N8 C26 C25 174.3(5) . . . . ?
Cu3 C111 C112 Cu5 -123.2(5) . . . . ?
Cu3 C111 C112 C113 57.3(19) . . . . ?
Cu4 O6 C31 O5 5.9(8) . . . . ?
Cu4 O6 C31 C32 -171.4(4) . . . . ?
Cu4 C131 C132 C133 -171.1(15) . . . . ?
Cu4 C132 C133 C134 27.6(8) . . . . ?
Cu4 C132 C133 C138 -151.8(4) . . . . ?
Cu4 C141 C142 Cu8 127.6(4) . . . . ?
Cu4 C141 C142 C143 -58.9(17) . . . . ?
Cu5 O8 C33 O7 -1.1(9) . . . . ?
Cu5 O8 C33 C34 -178.7(4) . . . . ?
Cu5 C111 C112 C113 -179.5(17) . . . . ?
Cu5 C112 C113 C36 41.1(10) . . . . ?
Cu5 C112 C113 C114 165.1(4) . . . . ?
Cu5 C112 C113 C118 -10.1(8) . . . . ?
Cu5 C131 C132 Cu4 -124.0(4) . . . . ?
Cu5 C131 C132 C133 65.0(16) . . . . ?
Cu6 O7 C33 O8 -9.5(9) . . . . ?
Cu6 O7 C33 C34 168.1(4) . . . . ?
Cu6 N4 C9 N3 -12.1(6) . . . . ?
Cu6 N4 C9 C10 170.4(5) . . . . ?
Cu6 N4 C13 C12 -171.2(5) . . . . ?
Cu6 C131 C132 Cu4 116.1(6) . . . . ?
Cu6 C131 C132 C133 -55.0(18) . . . . ?
Cu7 O2 C27 O1 -11.2(11) . . . . ?
Cu7 O2 C27 C28 161.9(6) . . . . ?
Cu7 N1 C1 C2 -175.3(5) . . . . ?
Cu7 N1 C5 N2 -1.9(6) . . . . ?
Cu7 N1 C5 C4 176.3(5) . . . . ?
Cu7 C121 C122 Cu9 122.1(7) . . . . ?
Cu7 C121 C122 C123 -65.7(17) . . . . ?
Cu8 O1 C27 O2 1.6(12) . . . . ?
Cu8 O1 C27 C28 -171.1(7) . . . . ?
Cu8 C121 C122 Cu9 -125.0(4) . . . . ?
Cu8 C121 C122 C123 47.2(16) . . . . ?
Cu8 C141 C142 C143 173.5(15) . . . . ?
Cu8 C142 C143 C144 162.0(5) . . . . ?
Cu8 C142 C143 C148 -17.1(8) . . . . ?
Cu9 O3 C29 O4 0.1(8) . . . . ?
Cu9 O3 C29 C30 -177.9(4) . . . . ?
Cu9 C111 C112 Cu5 129.3(4) . . . . ?
Cu9 C111 C112 C113 -50.2(19) . . . . ?
Cu9 C121 C122 C123 172.1(14) . . . . ?
Cu9 C122 C123 C124 -13.7(8) . . . . ?
Cu9 C122 C123 C128 164.5(5) . . . . ?
O1 C27 C28 F1 -130.7(8) . . . . ?
O1 C27 C28 F2 101.1(9) . . . . ?
O1 C27 C28 F3 -9.3(14) . . . . ?
O2 C27 C28 F1 55.3(11) . . . . ?
O2 C27 C28 F2 -72.9(10) . . . . ?
O2 C27 C28 F3 176.6(9) . . . . ?
O3 C29 C30 F4 -8.0(10) . . . . ?
O3 C29 C30 F5 114.4(8) . . . . ?
O3 C29 C30 F6 -133.9(8) . . . . ?
O4 C29 C30 F4 173.7(8) . . . . ?
O4 C29 C30 F5 -63.9(9) . . . . ?
O4 C29 C30 F6 47.8(10) . . . . ?
O5 C31 C32 F7 -103.5(6) . . . . ?
O5 C31 C32 F8 14.6(8) . . . . ?
O5 C31 C32 F9 139.3(5) . . . . ?
O6 C31 C32 F7 74.1(6) . . . . ?
O6 C31 C32 F8 -167.8(5) . . . . ?
O6 C31 C32 F9 -43.0(7) . . . . ?
O7 C33 C34 F10 37.1(8) . . . . ?
O7 C33 C34 F11 -80.9(7) . . . . ?
O7 C33 C34 F12 158.1(6) . . . . ?
O8 C33 C34 F10 -145.0(6) . . . . ?
O8 C33 C34 F11 97.0(6) . . . . ?
O8 C33 C34 F12 -24.0(8) . . . . ?
N1 C1 C2 C3 1.2(10) . . . . ?
N2 C7 C8 N3 0.8(7) . . . . ?
N3 C9 C10 C11 -174.9(6) . . . . ?
N4 C9 C10 C11 2.4(9) . . . . ?
N5 C14 C15 C16 0.7(9) . . . . ?
N6 C19 C21 N7 -1.9(6) . . . . ?
N7 C22 C23 C24 177.7(6) . . . . ?
N8 C22 C23 C24 -1.6(9) . . . . ?
C1 N1 C5 N2 -177.4(5) . . . . ?
C1 N1 C5 C4 0.9(9) . . . . ?
C1 C2 C3 C4 -1.4(10) . . . . ?
C2 C3 C4 C5 1.3(9) . . . . ?
C3 C4 C5 N1 -1.1(9) . . . . ?
C3 C4 C5 N2 177.0(5) . . . . ?
C5 N1 C1 C2 -0.9(9) . . . . ?
C5 N2 C6 Cu6 48.8(8) . . . . ?
C5 N2 C6 Cu7 -35.0(6) . . . . ?
C5 N2 C6 N3 -175.7(5) . . . . ?
C5 N2 C7 C8 174.6(6) . . . . ?
C6 N2 C5 N1 26.7(8) . . . . ?
C6 N2 C5 C4 -151.6(6) . . . . ?
C6 N2 C7 C8 0.0(7) . . . . ?
C6 N3 C8 C7 -1.4(7) . . . . ?
C6 N3 C9 N4 21.9(7) . . . . ?
C6 N3 C9 C10 -160.5(6) . . . . ?
C7 N2 C5 N1 -147.3(6) . . . . ?
C7 N2 C5 C4 34.4(9) . . . . ?
C7 N2 C6 Cu6 -136.3(5) . . . . ?
C7 N2 C6 Cu7 139.9(4) . . . . ?
C7 N2 C6 N3 -0.9(6) . . . . ?
C8 N3 C6 Cu6 149.8(4) . . . . ?
C8 N3 C6 Cu7 -121.7(5) . . . . ?
C8 N3 C6 N2 1.4(6) . . . . ?
C8 N3 C9 N4 -145.6(6) . . . . ?
C8 N3 C9 C10 31.9(9) . . . . ?
C9 N3 C6 Cu6 -19.4(6) . . . . ?
C9 N3 C6 Cu7 69.0(7) . . . . ?
C9 N3 C6 N2 -167.9(5) . . . . ?
C9 N3 C8 C7 167.1(6) . . . . ?
C9 N4 C13 C12 -2.1(9) . . . . ?
C9 C10 C11 C12 -1.7(10) . . . . ?
C10 C11 C12 C13 -0.7(10) . . . . ?
C11 C12 C13 N4 2.7(10) . . . . ?
C13 N4 C9 N3 177.0(5) . . . . ?
C13 N4 C9 C10 -0.5(9) . . . . ?
C14 N5 C18 N6 178.4(5) . . . . ?
C14 N5 C18 C17 -1.0(8) . . . . ?
C14 C15 C16 C17 -1.6(10) . . . . ?
C15 C16 C17 C18 1.2(10) . . . . ?
C16 C17 C18 N5 0.2(9) . . . . ?
C16 C17 C18 N6 -179.2(6) . . . . ?
C18 N5 C14 C15 0.6(8) . . . . ?
C18 N6 C19 C21 -173.7(5) . . . . ?
C18 N6 C20 Cu2 26.1(6) . . . . ?
C18 N6 C20 Cu3 -59.3(7) . . . . ?
C18 N6 C20 N7 174.9(5) . . . . ?
C19 N6 C18 N5 153.8(5) . . . . ?
C19 N6 C18 C17 -26.8(9) . . . . ?
C19 N6 C20 Cu2 -150.0(4) . . . . ?
C19 N6 C20 Cu3 124.6(5) . . . . ?
C19 N6 C20 N7 -1.2(6) . . . . ?
C20 N6 C18 N5 -21.6(7) . . . . ?
C20 N6 C18 C17 157.8(6) . . . . ?
C20 N6 C19 C21 2.0(6) . . . . ?
C20 N7 C21 C19 1.2(6) . . . . ?
C20 N7 C22 N8 -26.8(7) . . . . ?
C20 N7 C22 C23 153.8(6) . . . . ?
C21 N7 C20 Cu2 134.6(5) . . . . ?
C21 N7 C20 Cu3 -142.1(4) . . . . ?
C21 N7 C20 N6 0.0(6) . . . . ?
C21 N7 C22 N8 144.4(5) . . . . ?
C21 N7 C22 C23 -35.0(9) . . . . ?
C22 N7 C20 Cu2 -53.0(8) . . . . ?
C22 N7 C20 Cu3 30.3(6) . . . . ?
C22 N7 C20 N6 172.4(5) . . . . ?
C22 N7 C21 C19 -170.7(5) . . . . ?
C22 N8 C26 C25 1.3(9) . . . . ?
C22 C23 C24 C25 0.9(10) . . . . ?
C23 C24 C25 C26 0.8(10) . . . . ?
C24 C25 C26 N8 -2.0(10) . . . . ?
C26 N8 C22 N7 -178.9(5) . . . . ?
C26 N8 C22 C23 0.5(9) . . . . ?
C35 C36 C117 C37 41.4(11) . . . . ?
C35 C36 C117 C116 56.6(10) . . . . ?
C35 C36 C117 C118 178.2(13) . . . . ?
C35 C36 C118 C117 -1.3(10) . . . . ?
C35 C36 C118 C113 119.5(11) . . . . ?
C35 C36 C113 C112 165.4(13) . . . . ?
C35 C36 C113 C114 35.7(16) . . . . ?
C35 C36 C113 C118 -81.1(15) . . . . ?
C35 C37 C115 C114 -11(2) . . . . ?
C35 C37 C115 C116 91(2) . . . . ?
C35 C37 C116 C115 -119.2(11) . . . . ?
C35 C37 C116 C117 -2.6(12) . . . . ?
C35 C37 C117 C36 -40.4(9) . . . . ?
C35 C37 C117 C116 176.5(16) . . . . ?
C35 C37 C117 C118 -67.8(9) . . . . ?
C35 C116 C117 C36 -40.6(7) . . . . ?
C35 C116 C117 C37 -2.8(13) . . . . ?
C35 C116 C117 C118 -78.6(6) . . . . ?
C35 C117 C118 C36 1.3(10) . . . . ?
C35 C117 C118 C113 -71.7(7) . . . . ?
C35 C118 C113 C36 39.5(9) . . . . ?
C35 C118 C113 C112 132.0(8) . . . . ?
C35 C118 C113 C114 -43.1(5) . . . . ?
C36 C35 C37 C115 1(3) . . . . ?
C36 C35 C37 C116 80(2) . . . . ?
C36 C35 C37 C117 77.3(16) . . . . ?
C36 C35 C116 C37 -113(2) . . . . ?
C36 C35 C116 C115 -56.6(14) . . . . ?
C36 C35 C116 C117 63.7(12) . . . . ?
C36 C35 C117 C37 -121.4(13) . . . . ?
C36 C35 C117 C116 -122.9(9) . . . . ?
C36 C35 C117 C118 -1.1(8) . . . . ?
C36 C35 C118 C117 178.2(14) . . . . ?
C36 C35 C118 C113 -58.2(12) . . . . ?
C36 C117 C118 C35 -1.3(10) . . . . ?
C36 C117 C118 C113 -73.0(8) . . . . ?
C36 C118 C113 C112 92.5(10) . . . . ?
C36 C118 C113 C114 -82.5(8) . . . . ?
C37 C35 C36 C117 -75.9(16) . . . . ?
C37 C35 C36 C118 -75(2) . . . . ?
C37 C35 C36 C113 -15(2) . . . . ?
C37 C35 C116 C115 56.4(14) . . . . ?
C37 C35 C116 C117 176.7(15) . . . . ?
C37 C35 C117 C36 121.4(13) . . . . ?
C37 C35 C117 C116 -1.5(7) . . . . ?
C37 C35 C117 C118 120.3(8) . . . . ?
C37 C35 C118 C36 119.8(17) . . . . ?
C37 C35 C118 C117 -62.0(11) . . . . ?
C37 C35 C118 C113 61.6(12) . . . . ?
C37 C115 C116 C35 -46.7(14) . . . . ?
C37 C115 C116 C117 -97.7(13) . . . . ?
C37 C116 C117 C35 2.8(13) . . . . ?
C37 C116 C117 C36 -37.8(13) . . . . ?
C37 C116 C117 C118 -75.9(12) . . . . ?
C37 C117 C118 C35 45.5(9) . . . . ?
C37 C117 C118 C36 46.8(10) . . . . ?
C37 C117 C118 C113 -26.2(6) . . . . ?
C111 C112 C113 C36 -139.6(16) . . . . ?
C111 C112 C113 C114 -15.6(19) . . . . ?
C111 C112 C113 C118 169.3(15) . . . . ?
C114 C115 C116 C35 51.0(6) . . . . ?
C114 C115 C116 C37 97.7(13) . . . . ?
C114 C115 C116 C117 0.0 . . . . ?
C115 C37 C116 C35 119.2(11) . . . . ?
C115 C37 C116 C117 116.6(5) . . . . ?
C115 C37 C117 C35 121.4(12) . . . . ?
C115 C37 C117 C36 81.0(9) . . . . ?
C115 C37 C117 C116 -62.1(10) . . . . ?
C115 C37 C117 C118 53.6(10) . . . . ?
C115 C114 C113 C36 -47.1(7) . . . . ?
C115 C114 C113 C112 -175.3(6) . . . . ?
C115 C114 C113 C118 0.0 . . . . ?
C115 C116 C117 C35 78.6(6) . . . . ?
C115 C116 C117 C36 38.1(5) . . . . ?
C115 C116 C117 C37 75.9(12) . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C116 C35 C36 C117 -46.4(8) . . . . ?
C116 C35 C36 C118 -45.1(15) . . . . ?
C116 C35 C36 C113 15(2) . . . . ?
C116 C35 C37 C115 -78.7(17) . . . . ?
C116 C35 C37 C117 -2.7(12) . . . . ?
C116 C35 C117 C36 122.9(9) . . . . ?
C116 C35 C117 C37 1.5(7) . . . . ?
C116 C35 C117 C118 121.82(17) . . . . ?
C116 C35 C118 C36 138.6(14) . . . . ?
C116 C35 C118 C117 -43.3(4) . . . . ?
C116 C35 C118 C113 80.4(6) . . . . ?
C116 C37 C115 C114 -101.7(11) . . . . ?
C116 C37 C117 C35 -176.5(16) . . . . ?
C116 C37 C117 C36 143.1(12) . . . . ?
C116 C37 C117 C118 115.7(10) . . . . ?
C116 C117 C118 C35 71.7(7) . . . . ?
C116 C117 C118 C36 73.0(8) . . . . ?
C116 C117 C118 C113 0.0 . . . . ?
C117 C35 C36 C118 1.4(10) . . . . ?
C117 C35 C36 C113 61.0(14) . . . . ?
C117 C35 C37 C115 -76.1(15) . . . . ?
C117 C35 C37 C116 2.7(12) . . . . ?
C117 C35 C116 C37 -176.7(15) . . . . ?
C117 C35 C116 C115 -120.3(4) . . . . ?
C117 C35 C118 C36 -178.2(14) . . . . ?
C117 C35 C118 C113 123.6(5) . . . . ?
C117 C36 C118 C35 1.3(10) . . . . ?
C117 C36 C118 C113 120.8(2) . . . . ?
C117 C36 C113 C112 -154.5(6) . . . . ?
C117 C36 C113 C114 75.9(7) . . . . ?
C117 C36 C113 C118 -41.0(4) . . . . ?
C117 C37 C115 C114 -58.8(10) . . . . ?
C117 C37 C115 C116 42.9(8) . . . . ?
C117 C37 C116 C35 2.6(12) . . . . ?
C117 C37 C116 C115 -116.6(5) . . . . ?
C117 C118 C113 C36 82.5(8) . . . . ?
C117 C118 C113 C112 175.0(7) . . . . ?
C117 C118 C113 C114 0.0 . . . . ?
C118 C35 C36 C117 -1.4(10) . . . . ?
C118 C35 C36 C113 59.6(10) . . . . ?
C118 C35 C37 C115 -35.3(19) . . . . ?
C118 C35 C37 C116 43.5(15) . . . . ?
C118 C35 C37 C117 40.8(6) . . . . ?
C118 C35 C116 C37 -138.1(15) . . . . ?
C118 C35 C116 C115 -81.7(6) . . . . ?
C118 C35 C116 C117 38.6(3) . . . . ?
C118 C35 C117 C36 1.1(8) . . . . ?
C118 C35 C117 C37 -120.3(8) . . . . ?
C118 C35 C117 C116 -121.82(17) . . . . ?
C118 C36 C117 C35 -178.2(13) . . . . ?
C118 C36 C117 C37 -136.8(8) . . . . ?
C118 C36 C117 C116 -121.7(6) . . . . ?
C118 C36 C113 C112 -113.5(7) . . . . ?
C118 C36 C113 C114 116.8(6) . . . . ?
C113 C36 C117 C35 -130.2(13) . . . . ?
C113 C36 C117 C37 -88.7(8) . . . . ?
C113 C36 C117 C116 -73.6(7) . . . . ?
C113 C36 C117 C118 48.1(5) . . . . ?
C113 C36 C118 C35 -119.5(11) . . . . ?
C113 C36 C118 C117 -120.8(2) . . . . ?
C113 C114 C115 C37 38.5(9) . . . . ?
C113 C114 C115 C116 0.0 . . . . ?
C121 C122 C123 C124 176.0(12) . . . . ?
C121 C122 C123 C128 -5.8(17) . . . . ?
C122 C123 C124 C125 178.0(5) . . . . ?
C122 C123 C128 C127 -177.6(6) . . . . ?
C123 C124 C125 C126 -0.6(9) . . . . ?
C124 C123 C128 C127 0.6(10) . . . . ?
C124 C125 C126 C127 0.9(10) . . . . ?
C125 C126 C127 C128 -0.5(11) . . . . ?
C126 C127 C128 C123 -0.3(12) . . . . ?
C128 C123 C124 C125 -0.2(9) . . . . ?
C131 C132 C133 C134 -163.2(13) . . . . ?
C131 C132 C133 C138 17.3(17) . . . . ?
C132 C133 C134 C135 179.0(6) . . . . ?
C132 C133 C138 C137 -178.9(6) . . . . ?
C133 C134 C135 C136 0.1(10) . . . . ?
C134 C133 C138 C137 1.6(9) . . . . ?
C134 C135 C136 C137 1.2(10) . . . . ?
C135 C136 C137 C138 -1.0(10) . . . . ?
C136 C137 C138 C133 -0.3(10) . . . . ?
C138 C133 C134 C135 -1.5(9) . . . . ?
C141 C142 C143 C144 -10.0(18) . . . . ?
C141 C142 C143 C148 170.9(13) . . . . ?
C142 C143 C144 C145 179.3(6) . . . . ?
C142 C143 C148 C147 -179.2(6) . . . . ?
C143 C144 C145 C146 0.3(11) . . . . ?
C144 C143 C148 C147 1.7(10) . . . . ?
C144 C145 C146 C147 0.8(12) . . . . ?
C145 C146 C147 C148 -0.7(12) . . . . ?
C146 C147 C148 C143 -0.6(11) . . . . ?
C148 C143 C144 C145 -1.6(10) . . . . ?
Cl1 Cl2 C1S Cl1 -163.9(8) 5_776 . . . ?
Cl1 Cl2 C1S Cl2 -113(3) 5_776 . . 5_776 ?
Cl2 Cl1 C1S Cl2 18.8(9) 5_776 . . . ?
Cl2 Cl2 C1S Cl1 -51(2) 5_776 . . . ?
C1S Cl2 C1S Cl1 -51(2) 5_776 . . . ?
C1S Cl2 C1S Cl2 0.013(13) 5_776 . . 5_776 ?
C2S C3S C8S C7S -172.0(17) . . . . ?
C2S C3S C8S C16S -13(5) . . . . ?
C2S C3S C8S C20S -173(3) . . . . ?
C2S C3S C4S C5S 170(2) . . . . ?
C2S C3S C4S C16S 113(13) . . . . ?
C2S C3S C4S C19S 172(2) . . . . ?
C2S C3S C4S C18S 171(4) . . . . ?
C2S C3S C4S C17S 5(5) . . . . ?
C2S C3S C21S C7S -176(3) . . . . ?
C2S C3S C21S C16S -10(4) . . . . ?
C2S C3S C21S C20S -176.2(11) . . . . ?
C2S C3S C17S C5S 174.1(13) . . . . ?
C2S C3S C17S C4S -176(4) . . . . ?
C2S C3S C17S C16S 56(10) . . . . ?
C2S C3S C17S C18S 177.2(10) . . . . ?
C2S C16S C21S C3S 163(7) . . . . ?
C2S C16S C21S C7S 179(4) . . . . ?
C2S C16S C21S C20S 178(3) . . . . ?
C2S C16S C17S C3S -117(12) . . . . ?
C2S C16S C17S C5S 179.3(17) . . . . ?
C2S C16S C17S C4S -174(5) . . . . ?
C2S C16S C17S C18S -178.8(16) . . . . ?
C3S C2S C16S C8S -156(10) . . . . ?
C3S C2S C16S C4S 13(4) . . . . ?
C3S C2S C16S C21S -164(7) . . . . ?
C3S C2S C16S C17S 15(5) . . . . ?
C3S C8S C7S C6S 0.0 . . . . ?
C3S C8S C7S C21S 156(16) . . . . ?
C3S C8S C7S C19S -2.7(14) . . . . ?
C3S C8S C16S C2S 156(10) . . . . ?
C3S C8S C16S C4S -14(4) . . . . ?
C3S C8S C16S C21S -115(13) . . . . ?
C3S C8S C16S C17S -14(4) . . . . ?
C3S C8S C20S C6S 3(6) . . . . ?
C3S C8S C20S C21S 158(14) . . . . ?
C3S C8S C20S C19S -1(3) . . . . ?
C3S C4S C16S C2S -58(11) . . . . ?
C3S C4S C16S C8S 115(14) . . . . ?
C3S C4S C16S C21S 120(12) . . . . ?
C3S C4S C16S C17S -65(14) . . . . ?
C3S C4S C18S C6S -2(5) . . . . ?
C3S C4S C18S C5S -7(18) . . . . ?
C3S C4S C18S C19S 1(5) . . . . ?
C3S C4S C18S C17S -24(14) . . . . ?
C3S C4S C17S C5S 28(11) . . . . ?
C3S C4S C17S C16S 8(3) . . . . ?
C3S C4S C17S C18S 34(21) . . . . ?
C3S C21S C20S C8S -18(11) . . . . ?
C3S C21S C20S C6S 11(4) . . . . ?
C3S C21S C20S C19S 4.3(14) . . . . ?
C3S C18S C17S C5S 19(8) . . . . ?
C3S C18S C17S C4S -149(19) . . . . ?
C3S C18S C17S C16S 8(3) . . . . ?
C8S C3S C4S C5S 0.0 . . . . ?
C8S C3S C4S C16S -57(12) . . . . ?
C8S C3S C4S C19S 2.2(12) . . . . ?
C8S C3S C4S C18S 1(4) . . . . ?
C8S C3S C4S C17S -165(6) . . . . ?
C8S C3S C21S C7S 126(26) . . . . ?
C8S C3S C21S C16S -67(26) . . . . ?
C8S C3S C21S C20S 126(24) . . . . ?
C8S C3S C17S C5S 12(5) . . . . ?
C8S C3S C17S C4S 21(9) . . . . ?
C8S C3S C17S C16S -107(13) . . . . ?
C8S C3S C17S C18S 15(5) . . . . ?
C8S C7S C6S C5S 0.0 . . . . ?
C8S C7S C6S C20S -44(64) . . . . ?
C8S C7S C6S C19S -9(5) . . . . ?
C8S C7S C6S C18S -0.5(12) . . . . ?
C8S C7S C21S C3S -19(13) . . . . ?
C8S C7S C21S C16S -24(13) . . . . ?
C8S C7S C21S C20S -20(29) . . . . ?
C8S C7S C19S C6S 172(4) . . . . ?
C8S C7S C19S C5S 11(6) . . . . ?
C8S C7S C19S C4S 3.3(18) . . . . ?
C8S C7S C19S C20S -161(55) . . . . ?
C8S C7S C19S C18S 5(2) . . . . ?
C8S C16S C21S C3S 67(14) . . . . ?
C8S C16S C21S C7S 83(14) . . . . ?
C8S C16S C21S C20S 82(14) . . . . ?
C8S C16S C17S C3S 57(10) . . . . ?
C8S C16S C17S C5S -7(3) . . . . ?
C8S C16S C17S C4S 0(5) . . . . ?
C8S C16S C17S C18S -5(3) . . . . ?
C8S C20S C19S C7S 18(52) . . . . ?
C8S C20S C19S C6S 170(8) . . . . ?
C8S C20S C19S C5S 10(5) . . . . ?
C8S C20S C19S C4S 2(2) . . . . ?
C8S C20S C19S C18S 4(2) . . . . ?
C7S C8S C16S C2S -176.1(18) . . . . ?
C7S C8S C16S C4S 14(5) . . . . ?
C7S C8S C16S C21S -87(15) . . . . ?
C7S C8S C16S C17S 14(5) . . . . ?
C7S C8S C20S C6S -171(17) . . . . ?
C7S C8S C20S C21S -16(24) . . . . ?
C7S C8S C20S C19S -175(14) . . . . ?
C7S C6S C5S C4S 0.0 . . . . ?
C7S C6S C5S C19S -56(18) . . . . ?
C7S C6S C5S C18S -2(4) . . . . ?
C7S C6S C5S C17S 2.9(12) . . . . ?
C7S C6S C20S C8S 133(69) . . . . ?
C7S C6S C20S C21S 128(67) . . . . ?
C7S C6S C20S C19S 146(60) . . . . ?
C7S C6S C19S C5S 129(16) . . . . ?
C7S C6S C19S C4S 22(11) . . . . ?
C7S C6S C19S C20S -1(3) . . . . ?
C7S C6S C19S C18S 46(19) . . . . ?
C7S C6S C18S C3S 0.6(14) . . . . ?
C7S C6S C18S C5S 178(4) . . . . ?
C7S C6S C18S C4S 2(4) . . . . ?
C7S C6S C18S C19S -137(17) . . . . ?
C7S C6S C18S C17S 5(2) . . . . ?
C7S C21S C20S C8S 162(27) . . . . ?
C7S C21S C20S C6S -169(19) . . . . ?
C7S C21S C20S C19S -176(16) . . . . ?
C7S C19S C18S C3S -4(2) . . . . ?
C7S C19S C18S C6S 39(15) . . . . ?
C7S C19S C18S C5S 169(7) . . . . ?
C7S C19S C18S C4S -5(4) . . . . ?
C7S C19S C18S C17S -1(2) . . . . ?
C6S C7S C21S C3S 8(5) . . . . ?
C6S C7S C21S C16S 3(5) . . . . ?
C6S C7S C21S C20S 7(13) . . . . ?
C6S C7S C19S C5S -161(10) . . . . ?
C6S C7S C19S C4S -168(6) . . . . ?
C6S C7S C19S C20S 27(57) . . . . ?
C6S C7S C19S C18S -167(7) . . . . ?
C6S C5S C4S C3S 0.0 . . . . ?
C6S C5S C4S C16S 4.8(16) . . . . ?
C6S C5S C4S C19S -5(3) . . . . ?
C6S C5S C4S C18S -174(16) . . . . ?
C6S C5S C4S C17S 18(7) . . . . ?
C6S C5S C19S C7S 115(22) . . . . ?
C6S C5S C19S C4S 127(17) . . . . ?
C6S C5S C19S C20S 116(21) . . . . ?
C6S C5S C19S C18S 130(15) . . . . ?
C6S C5S C18S C3S 3(7) . . . . ?
C6S C5S C18S C4S 7(18) . . . . ?
C6S C5S C18S C19S -6(3) . . . . ?
C6S C5S C18S C17S 12(10) . . . . ?
C6S C20S C19S C7S -152(59) . . . . ?
C6S C20S C19S C5S -160(10) . . . . ?
C6S C20S C19S C4S -168(7) . . . . ?
C6S C20S C19S C18S -166(7) . . . . ?
C6S C19S C18S C3S -43(17) . . . . ?
C6S C19S C18S C5S 130(21) . . . . ?
C6S C19S C18S C4S -43(17) . . . . ?
C6S C19S C18S C17S -39(17) . . . . ?
C6S C18S C17S C3S -11(3) . . . . ?
C6S C18S C17S C5S 7(6) . . . . ?
C6S C18S C17S C4S -160(17) . . . . ?
C6S C18S C17S C16S -3.0(16) . . . . ?
C5S C6S C20S C8S -3(6) . . . . ?
C5S C6S C20S C21S -9(5) . . . . ?
C5S C6S C20S C19S 9(5) . . . . ?
C5S C6S C19S C7S -129(16) . . . . ?
C5S C6S C19S C4S -107(25) . . . . ?
C5S C6S C19S C20S -130(15) . . . . ?
C5S C6S C19S C18S -83(29) . . . . ?
C5S C6S C18S C3S -178(5) . . . . ?
C5S C6S C18S C4S -177(8) . . . . ?
C5S C6S C18S C19S 45(19) . . . . ?
C5S C6S C18S C17S -173(6) . . . . ?
C5S C4S C16S C2S 176.4(11) . . . . ?
C5S C4S C16S C8S -10(3) . . . . ?
C5S C4S C16S C21S -6(2) . . . . ?
C5S C4S C16S C17S 169(5) . . . . ?
C5S C4S C18S C3S 7(18) . . . . ?
C5S C4S C18S C6S 5(12) . . . . ?
C5S C4S C18S C19S 8(13) . . . . ?
C5S C4S C18S C17S -17(30) . . . . ?
C5S C4S C17S C3S -28(11) . . . . ?
C5S C4S C17S C16S -20(10) . . . . ?
C5S C4S C17S C18S 6(11) . . . . ?
C5S C19S C18S C3S -173(7) . . . . ?
C5S C19S C18S C6S -130(21) . . . . ?
C5S C19S C18S C4S -174(9) . . . . ?
C5S C19S C18S C17S -170(7) . . . . ?
C5S C18S C17S C3S -19(8) . . . . ?
C5S C18S C17S C4S -168(22) . . . . ?
C5S C18S C17S C16S -10(7) . . . . ?
C4S C3S C8S C7S 0.0 . . . . ?
C4S C3S C8S C16S 159(7) . . . . ?
C4S C3S C8S C20S -1(2) . . . . ?
C4S C3S C21S C7S -7(5) . . . . ?
C4S C3S C21S C16S 160(6) . . . . ?
C4S C3S C21S C20S -7(2) . . . . ?
C4S C3S C17S C5S -10(4) . . . . ?
C4S C3S C17S C16S -128(9) . . . . ?
C4S C3S C17S C18S -7(4) . . . . ?
C4S C5S C19S C7S -12(6) . . . . ?
C4S C5S C19S C6S -127(17) . . . . ?
C4S C5S C19S C20S -11(5) . . . . ?
C4S C5S C19S C18S 3(5) . . . . ?
C4S C5S C18S C3S -5(12) . . . . ?
C4S C5S C18S C6S -7(18) . . . . ?
C4S C5S C18S C19S -13(20) . . . . ?
C4S C5S C18S C17S 5(9) . . . . ?
C4S C16S C21S C3S -14(4) . . . . ?
C4S C16S C21S C7S 2(4) . . . . ?
C4S C16S C21S C20S 1.4(11) . . . . ?
C4S C16S C17S C3S 57(10) . . . . ?
C4S C16S C17S C5S -7(4) . . . . ?
C4S C16S C17S C18S -5(4) . . . . ?
C4S C19S C18S C3S 1(3) . . . . ?
C4S C19S C18S C6S 43(17) . . . . ?
C4S C19S C18S C5S 174(9) . . . . ?
C4S C19S C18S C17S 4(3) . . . . ?
C4S C18S C17S C3S 149(19) . . . . ?
C4S C18S C17S C5S 168(22) . . . . ?
C4S C18S C17S C16S 157(17) . . . . ?
C16S C2S C3S C8S 12(5) . . . . ?
C16S C2S C3S C4S -158(7) . . . . ?
C16S C2S C3S C21S 9(4) . . . . ?
C16S C2S C3S C18S -153(8) . . . . ?
C16S C2S C3S C17S -156(8) . . . . ?
C16S C8S C7S C6S -10(3) . . . . ?
C16S C8S C7S C21S 145(19) . . . . ?
C16S C8S C7S C19S -13(4) . . . . ?
C16S C8S C20S C6S -5(8) . . . . ?
C16S C8S C20S C21S 150(17) . . . . ?
C16S C8S C20S C19S -10(6) . . . . ?
C16S C4S C18S C3S 5.5(18) . . . . ?
C16S C4S C18S C6S 3(5) . . . . ?
C16S C4S C18S C5S -2(17) . . . . ?
C16S C4S C18S C19S 7(5) . . . . ?
C16S C4S C18S C17S -18(14) . . . . ?
C16S C4S C17S C3S -8(3) . . . . ?
C16S C4S C17S C5S 20(10) . . . . ?
C16S C4S C17S C18S 26(20) . . . . ?
C16S C21S C20S C8S -22(12) . . . . ?
C16S C21S C20S C6S 7(4) . . . . ?
C16S C21S C20S C19S 0.0 . . . . ?
C21S C3S C8S C7S -48(23) . . . . ?
C21S C3S C8S C16S 110(28) . . . . ?
C21S C3S C8S C20S -49(21) . . . . ?
C21S C3S C4S C5S 3(2) . . . . ?
C21S C3S C4S C16S -53(11) . . . . ?
C21S C3S C4S C19S 5(2) . . . . ?
C21S C3S C4S C18S 5(5) . . . . ?
C21S C3S C4S C17S -162(7) . . . . ?
C21S C3S C17S C5S 15(5) . . . . ?
C21S C3S C17S C4S 25(9) . . . . ?
C21S C3S C17S C16S -103(14) . . . . ?
C21S C3S C17S C18S 18(6) . . . . ?
C21S C7S C6S C5S -5(3) . . . . ?
C21S C7S C6S C20S -49(62) . . . . ?
C21S C7S C6S C19S -14(5) . . . . ?
C21S C7S C6S C18S -5(4) . . . . ?
C21S C7S C19S C6S 168(4) . . . . ?
C21S C7S C19S C5S 7(7) . . . . ?
C21S C7S C19S C4S 0(4) . . . . ?
C21S C7S C19S C20S -165(57) . . . . ?
C21S C7S C19S C18S 1(5) . . . . ?
C21S C16S C17S C3S 62(11) . . . . ?
C21S C16S C17S C5S -1.8(12) . . . . ?
C21S C16S C17S C4S 5(4) . . . . ?
C21S C16S C17S C18S 0.0 . . . . ?
C21S C20S C19S C7S 14(53) . . . . ?
C21S C20S C19S C6S 166(7) . . . . ?
C21S C20S C19S C5S 6(4) . . . . ?
C21S C20S C19S C4S -1.3(11) . . . . ?
C21S C20S C19S C18S 0.0 . . . . ?
C20S C8S C7S C6S 6(12) . . . . ?
C20S C8S C7S C21S 162(27) . . . . ?
C20S C8S C7S C19S 4(11) . . . . ?
C20S C8S C16S C2S -180(2) . . . . ?
C20S C8S C16S C4S 10(5) . . . . ?
C20S C8S C16S C21S -90(16) . . . . ?
C20S C8S C16S C17S 10(6) . . . . ?
C20S C6S C5S C4S 2(3) . . . . ?
C20S C6S C5S C19S -54(17) . . . . ?
C20S C6S C5S C18S 0(5) . . . . ?
C20S C6S C5S C17S 4(3) . . . . ?
C20S C6S C19S C7S 1(3) . . . . ?
C20S C6S C19S C5S 130(15) . . . . ?
C20S C6S C19S C4S 23(13) . . . . ?
C20S C6S C19S C18S 47(21) . . . . ?
C20S C6S C18S C3S 2(3) . . . . ?
C20S C6S C18S C5S 180(5) . . . . ?
C20S C6S C18S C4S 3(5) . . . . ?
C20S C6S C18S C19S -135(19) . . . . ?
C20S C6S C18S C17S 7(4) . . . . ?
C20S C19S C18S C3S -3.5(11) . . . . ?
C20S C19S C18S C6S 39(17) . . . . ?
C20S C19S C18S C5S 170(7) . . . . ?
C20S C19S C18S C4S -4(3) . . . . ?
C20S C19S C18S C17S 0.0 . . . . ?
C19S C7S C6S C5S 9(5) . . . . ?
C19S C7S C6S C20S -35(61) . . . . ?
C19S C7S C6S C18S 9(4) . . . . ?
C19S C7S C21S C3S 3(5) . . . . ?
C19S C7S C21S C16S -1(5) . . . . ?
C19S C7S C21S C20S 3(13) . . . . ?
C19S C6S C5S C4S 56(18) . . . . ?
C19S C6S C5S C18S 54(17) . . . . ?
C19S C6S C5S C17S 59(18) . . . . ?
C19S C6S C20S C8S -12(10) . . . . ?
C19S C6S C20S C21S -18(9) . . . . ?
C19S C6S C18S C3S 137(17) . . . . ?
C19S C6S C18S C5S -45(19) . . . . ?
C19S C6S C18S C4S 139(16) . . . . ?
C19S C6S C18S C17S 142(16) . . . . ?
C19S C5S C4S C3S 5(3) . . . . ?
C19S C5S C4S C16S 10(3) . . . . ?
C19S C5S C4S C18S -168(17) . . . . ?
C19S C5S C4S C17S 23(8) . . . . ?
C19S C5S C18S C3S 9(8) . . . . ?
C19S C5S C18S C6S 6(3) . . . . ?
C19S C5S C18S C4S 13(20) . . . . ?
C19S C5S C18S C17S 18(12) . . . . ?
C19S C4S C16S C2S -179.5(16) . . . . ?
C19S C4S C16S C8S -6(3) . . . . ?
C19S C4S C16S C21S -1.8(14) . . . . ?
C19S C4S C16S C17S 174(5) . . . . ?
C19S C4S C18S C3S -1(5) . . . . ?
C19S C4S C18S C6S -3.6(18) . . . . ?
C19S C4S C18S C5S -8(13) . . . . ?
C19S C4S C18S C17S -25(19) . . . . ?
C19S C4S C17S C3S -17(8) . . . . ?
C19S C4S C17S C5S 12(4) . . . . ?
C19S C4S C17S C16S -8(7) . . . . ?
C19S C4S C17S C18S 18(13) . . . . ?
C19S C18S C17S C3S -8(3) . . . . ?
C19S C18S C17S C5S 10(7) . . . . ?
C19S C18S C17S C4S -157(17) . . . . ?
C19S C18S C17S C16S 0.0 . . . . ?
C18S C3S C8S C7S 0.4(11) . . . . ?
C18S C3S C8S C16S 159(7) . . . . ?
C18S C3S C8S C20S -1(2) . . . . ?
C18S C3S C4S C5S -1(4) . . . . ?
C18S C3S C4S C16S -58(13) . . . . ?
C18S C3S C4S C19S 1(3) . . . . ?
C18S C3S C4S C17S -166(9) . . . . ?
C18S C3S C21S C7S -5(4) . . . . ?
C18S C3S C21S C16S 161(6) . . . . ?
C18S C3S C21S C20S -5.3(18) . . . . ?
C18S C3S C17S C5S -3.1(13) . . . . ?
C18S C3S C17S C4S 7(4) . . . . ?
C18S C3S C17S C16S -122(10) . . . . ?
C18S C6S C5S C4S 2(4) . . . . ?
C18S C6S C5S C19S -54(17) . . . . ?
C18S C6S C5S C17S 5(4) . . . . ?
C18S C6S C20S C8S -3(6) . . . . ?
C18S C6S C20S C21S -9(5) . . . . ?
C18S C6S C20S C19S 9(5) . . . . ?
C18S C6S C19S C7S -46(19) . . . . ?
C18S C6S C19S C5S 83(29) . . . . ?
C18S C6S C19S C4S -24(8) . . . . ?
C18S C6S C19S C20S -47(21) . . . . ?
C18S C5S C4S C3S 174(16) . . . . ?
C18S C5S C4S C16S 179(100) . . . . ?
C18S C5S C4S C19S 168(17) . . . . ?
C18S C5S C4S C17S -169(21) . . . . ?
C18S C5S C19S C7S -15(10) . . . . ?
C18S C5S C19S C6S -130(15) . . . . ?
C18S C5S C19S C4S -3(5) . . . . ?
C18S C5S C19S C20S -14(9) . . . . ?
C18S C4S C16S C2S 177(3) . . . . ?
C18S C4S C16S C8S -10(5) . . . . ?
C18S C4S C16S C21S -6(4) . . . . ?
C18S C4S C16S C17S 170(8) . . . . ?
C18S C4S C17S C3S -34(21) . . . . ?
C18S C4S C17S C5S -6(11) . . . . ?
C18S C4S C17S C16S -26(20) . . . . ?
C17S C3S C8S C7S -9(4) . . . . ?
C17S C3S C8S C16S 150(9) . . . . ?
C17S C3S C8S C20S -10(5) . . . . ?
C17S C3S C4S C5S 165(6) . . . . ?
C17S C3S C4S C16S 108(15) . . . . ?
C17S C3S C4S C19S 167(6) . . . . ?
C17S C3S C4S C18S 166(9) . . . . ?
C17S C3S C21S C7S -17(7) . . . . ?
C17S C3S C21S C16S 150(10) . . . . ?
C17S C3S C21S C20S -17(5) . . . . ?
C17S C5S C4S C3S -18(7) . . . . ?
C17S C5S C4S C16S -13(6) . . . . ?
C17S C5S C4S C19S -23(8) . . . . ?
C17S C5S C4S C18S 169(21) . . . . ?
C17S C5S C19S C7S -8(6) . . . . ?
C17S C5S C19S C6S -123(18) . . . . ?
C17S C5S C19S C4S 3.6(13) . . . . ?
C17S C5S C19S C20S -8(5) . . . . ?
C17S C5S C19S C18S 7(4) . . . . ?
C17S C5S C18S C3S -10(4) . . . . ?
C17S C5S C18S C6S -12(10) . . . . ?
C17S C5S C18S C4S -5(9) . . . . ?
C17S C5S C18S C19S -18(12) . . . . ?
C17S C4S C16S C2S 7(5) . . . . ?
C17S C4S C16S C8S -180(5) . . . . ?
C17S C4S C16S C21S -175(4) . . . . ?
C17S C4S C18S C3S 24(14) . . . . ?
C17S C4S C18S C6S 22(19) . . . . ?
C17S C4S C18S C5S 17(30) . . . . ?
C17S C4S C18S C19S 25(19) . . . . ?
C17S C16S C21S C3S -15(5) . . . . ?
C17S C16S C21S C7S 1(3) . . . . ?
C17S C16S C21S C20S 0.0 . . . . ?
C9S C10S C11S C12S -178.5(7) . . . . ?
C9S C10S C15S C14S 178.4(8) . . . . ?
C10S C11S C12S C13S -0.9(11) . . . . ?
C11S C10S C15S C14S -0.7(11) . . . . ?
C11S C12S C13S C14S 1.2(11) . . . . ?
C12S C13S C14S C15S -1.4(12) . . . . ?
C13S C14S C15S C10S 1.2(13) . . . . ?
C15S C10S C11S C12S 0.6(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.661
_oxdiff_exptl_absorpt_empirical_full_min 0.561
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zlm156a2
_database_code_depnum_ccdc_archive 'CCDC 2308967'
loop_
_audit_author_name
_audit_author_address
'Shang-Fu Yuan'
;Jinan University
China
;
_audit_update_record             
;
2023-11-20 deposited with the CCDC.	2024-03-19 downloaded from the CCDC.
;
_audit_creation_date             2023-04-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.16 svn.ra9532c28 for OlexSys, GUI svn.r6427)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        Cu9-TBA
_chemical_formula_moiety         
'C58 H56 Cu9 F12 N8 O8, 0.3(C H2 Cl2), F6 P, C7 H8'
_chemical_formula_sum            'C65.30 H64.60 Cl0.60 Cu9 F18 N8 O8 P'
_chemical_formula_weight         2055.55
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.2619(3)
_cell_length_b                   21.6279(5)
_cell_length_c                   18.4909(4)
_cell_angle_alpha                90
_cell_angle_beta                 108.627(2)
_cell_angle_gamma                90
_cell_volume                     8436.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15257
_cell_measurement_temperature    100.01(13)
_cell_measurement_theta_max      73.0860
_cell_measurement_theta_min      2.9170
_shelx_estimated_absorpt_T_max   0.716
_shelx_estimated_absorpt_T_min   0.716
_exptl_absorpt_coefficient_mu    3.582
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69329
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4098
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            43852
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.499
_diffrn_reflns_theta_max         67.499
_diffrn_reflns_theta_min         2.926
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -34.00  19.00   0.50    3.19    --    0.90 -10.00 173.00  106
  2  ω    148.00 174.00   0.50   12.77    --  105.10  10.00 -12.00   52
  3  ω     67.00  92.00   0.50   12.77    --  105.10 -10.00 173.00   50
  4  ω     94.00 119.00   0.50   12.77    --  105.10  10.00 -12.00   50
  5  ω    -11.00  14.00   0.50    3.19    --   -0.90  10.00 -12.00   50
  6  ω    -28.00  48.00   0.50    3.19    --    0.90  77.00  30.00  152
  7  ω    -28.00  46.00   0.50    3.19    --    0.90  77.00 120.00  148
  8  ω     16.00 131.00   0.50   12.77    --  105.10 -57.00-120.00  230
  9  ω    125.00 193.00   0.50   12.77    --  105.10  38.00  60.00  136
 10  ω     44.00  70.00   0.50   12.77    --  105.10 -82.00 -30.00   52
 11  ω     82.00 123.00   0.50   12.77    --  105.10  38.00  60.00   82
 12  ω     75.00 135.00   0.50   12.77    --  105.10 -82.00 -30.00  120
 13  ω     16.00 138.00   0.50   12.77    --  105.10 -19.00 -90.00  244
 14  ω     22.00 128.00   0.50   12.77    --  105.10 -77.00  90.00  212
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0558696000
_diffrn_orient_matrix_UB_12      0.0014756000
_diffrn_orient_matrix_UB_13      0.0750692000
_diffrn_orient_matrix_UB_21      0.0464180000
_diffrn_orient_matrix_UB_22      0.0092574000
_diffrn_orient_matrix_UB_23      -0.0455619000
_diffrn_orient_matrix_UB_31      -0.0072437000
_diffrn_orient_matrix_UB_32      0.0706303000
_diffrn_orient_matrix_UB_33      0.0043620000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11543
_reflns_number_total             15000
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.973
_refine_diff_density_min         -1.028
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     977
_refine_ls_number_reflns         15000
_refine_ls_number_restraints     79
_refine_ls_R_factor_all          0.1304
_refine_ls_R_factor_gt           0.0936
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1578P)²+67.1389P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2675
_refine_ls_wR_factor_ref         0.2829
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl1-C38 = Cl2-C38
 1.75 with sigma of 0.01
 C2S-C1S
 1.45 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C131 \\sim C132 \\sim C133 \\sim C134 \\sim C135 \\sim C136: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C121 \\sim C122 \\sim C124 \\sim C125 \\sim C126: within 2A with sigma of 0.001
and sigma for terminal atoms of 0.002 within 2A
C8S \\sim C9S \\sim C10S \\sim C11S \\sim C12S \\sim C13S \\sim C14S: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Cl1 \\sim Cl2 \\sim C38: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
C1S \\sim C2S \\sim C3S \\sim C4S \\sim C5S \\sim C6S \\sim C7S: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C121 \\sim C122 \\sim C123 \\sim C124 \\sim C125 \\sim C126: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
4. Others
 Fixed Sof: Cl1(0.3) Cl2(0.3) C38(0.3) H38A(0.3) H38B(0.3) C1S(0.5) H1SA(0.5)
 H1SB(0.5) H1SC(0.5) C6S(0.5) H6S(0.5) C7S(0.5) H7S(0.5) C3S(0.5) H3S(0.5)
 C2S(0.5) C4S(0.5) H4S(0.5) C5S(0.5) H5S(0.5) C8S(0.5) H8SA(0.5) H8SB(0.5)
 H8SC(0.5) C13S(0.5) H13S(0.5) C14S(0.5) H14S(0.5) C9S(0.5) C10S(0.5) H10S(0.5)
 C11S(0.5) H11S(0.5) C12S(0.5) H12S(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C38(H38A,H38B)
5.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C13(H13), C14(H14), C16(H16), C17(H17),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C26(H26), C27(H27),
  C29(H29), C30(H30), C31(H31), C32(H32), C6S(H6S), C7S(H7S), C3S(H3S),
 C4S(H4S), C5S(H5S), C13S(H13S), C14S(H14S), C10S(H10S), C11S(H11S), C12S(H12S)
5.c Fitted hexagon refined as free rotating group:
 C6S(C7S,C3S,C2S,C4S,C5S), C13S(C14S,C9S,C10S,C11S,C12S)
5.d Idealised Me refined as rotating group:
 C114(H11A,H11B,H11C), C115(H11D,H11E,H11F), C116(H11G,H11H,H11I), C124(H12A,
 H12B,H12C), C125(H12D,H12E,H12F), C126(H12G,H12H,H12I), C134(H13A,H13B,H13C),
 C135(H13D,H13E,H13F), C136(H13G,H13H,H13I), C144(H14A,H14B,H14C), C145(H14D,
 H14E,H14F), C146(H14G,H14H,H14I), C1S(H1SA,H1SB,H1SC), C8S(H8SA,H8SB,H8SC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.29040(5) 0.49530(6) 0.67939(6) 0.0357(3) Uani 1 1 d . . . . .
Cu2 Cu 0.37089(5) 0.52810(6) 0.80343(7) 0.0371(3) Uani 1 1 d . . . . .
Cu3 Cu 0.27371(5) 0.46773(6) 0.81408(7) 0.0398(3) Uani 1 1 d . . . . .
Cu4 Cu 0.20530(5) 0.54751(6) 0.73369(7) 0.0390(3) Uani 1 1 d . . . . .
Cu5 Cu 0.17404(5) 0.46932(6) 0.62267(8) 0.0412(3) Uani 1 1 d . . . . .
Cu6 Cu 0.38336(5) 0.52205(5) 0.61427(6) 0.0339(3) Uani 1 1 d . . . . .
Cu7 Cu 0.30211(5) 0.44335(6) 0.55151(6) 0.0355(3) Uani 1 1 d . . . . .
Cu8 Cu 0.32840(5) 0.38606(6) 0.67789(7) 0.0386(3) Uani 1 1 d . . . . .
Cu9 Cu 0.28951(5) 0.59464(6) 0.60764(7) 0.0355(3) Uani 1 1 d . . . . .
F1 F 0.3834(3) 0.7013(3) 0.4375(3) 0.0516(13) Uani 1 1 d . . . . .
F2 F 0.4673(2) 0.7051(3) 0.5353(3) 0.0548(13) Uani 1 1 d . . . . .
F3 F 0.3848(3) 0.7570(3) 0.5344(3) 0.0537(13) Uani 1 1 d . . . . .
F4 F 0.4633(3) 0.4938(4) 1.0626(4) 0.078(2) Uani 1 1 d . . . . .
F5 F 0.4032(4) 0.5694(4) 1.0616(4) 0.083(2) Uani 1 1 d . . . . .
F6 F 0.3750(4) 0.4789(4) 1.0816(4) 0.095(3) Uani 1 1 d . . . . .
F7 F -0.0356(4) 0.5165(6) 0.5815(8) 0.146(5) Uani 1 1 d . . . . .
F8 F -0.0131(6) 0.4689(8) 0.6863(12) 0.216(9) Uani 1 1 d . . . . .
F9 F -0.0187(4) 0.5677(7) 0.6797(8) 0.157(6) Uani 1 1 d . . . . .
F10 F 0.3681(4) 0.2053(3) 0.5756(4) 0.089(2) Uani 1 1 d . . . . .
F11 F 0.4139(3) 0.2597(4) 0.5125(5) 0.089(2) Uani 1 1 d . . . . .
F12 F 0.3164(3) 0.2350(3) 0.4631(3) 0.0651(16) Uani 1 1 d . . . . .
O1 O 0.3252(2) 0.6543(3) 0.5522(3) 0.0412(13) Uani 1 1 d . . . . .
O2 O 0.4151(3) 0.6020(3) 0.5627(3) 0.0399(13) Uani 1 1 d . . . . .
O3 O 0.3203(3) 0.3530(3) 0.5110(3) 0.0410(13) Uani 1 1 d . . . . .
O4 O 0.3539(3) 0.3142(3) 0.6304(3) 0.0482(15) Uani 1 1 d . . . . .
O5 O 0.0866(3) 0.4779(4) 0.6220(5) 0.064(2) Uani 1 1 d . . . . .
O6 O 0.1039(3) 0.5561(3) 0.7064(4) 0.0542(17) Uani 1 1 d . . . . .
O7 O 0.3982(3) 0.5324(3) 0.9148(3) 0.0478(15) Uani 1 1 d . . . . .
O8 O 0.3229(3) 0.4705(3) 0.9332(3) 0.0463(14) Uani 1 1 d . . . . .
N1 N 0.2525(3) 0.4808(4) 0.4458(5) 0.0470(18) Uani 1 1 d . . . . .
N2 N 0.3552(3) 0.4784(3) 0.4424(4) 0.0382(15) Uani 1 1 d . . . . .
N3 N 0.4377(3) 0.4461(3) 0.5300(4) 0.0340(14) Uani 1 1 d . . . . .
N4 N 0.4741(3) 0.4785(3) 0.6552(4) 0.0350(14) Uani 1 1 d . . . . .
N5 N 0.2281(3) 0.6317(3) 0.7920(4) 0.0408(16) Uani 1 1 d . . . . .
N6 N 0.2011(4) 0.5698(4) 0.8788(5) 0.055(2) Uani 1 1 d . . . . .
N7 N 0.1695(4) 0.4760(4) 0.8644(5) 0.053(2) Uani 1 1 d . . . . .
N8 N 0.2128(3) 0.3936(4) 0.8181(4) 0.051(2) Uani 1 1 d . . . . .
C00Z C 0.3792(3) 0.4712(4) 0.5195(4) 0.0333(16) Uani 1 1 d . . . . .
C1 C 0.3795(4) 0.6480(4) 0.5471(4) 0.0342(16) Uani 1 1 d . . . . .
C2 C 0.3419(4) 0.3126(4) 0.5588(5) 0.0405(19) Uani 1 1 d . . . . .
C3 C 0.3596(5) 0.2518(5) 0.5280(6) 0.054(2) Uani 1 1 d . . . . .
C4 C 0.0715(5) 0.5179(6) 0.6613(7) 0.059(3) Uani 1 1 d . . . . .
C5 C 0.0002(7) 0.5171(10) 0.6543(13) 0.108(6) Uani 1 1 d . . . . .
C6 C 0.3710(4) 0.5031(5) 0.9541(5) 0.045(2) Uani 1 1 d . . . . .
C7 C 0.4031(5) 0.5105(6) 1.0407(5) 0.057(3) Uani 1 1 d . . . . .
C8 C 0.1911(4) 0.4948(7) 0.4146(7) 0.077(4) Uani 1 1 d . . . . .
H8 H 0.1632 0.4852 0.4412 0.092 Uiso 1 1 calc R U . . .
C9 C 0.1679(5) 0.5229(9) 0.3447(9) 0.104(6) Uani 1 1 d . . . . .
H9 H 0.1251 0.5328 0.3253 0.125 Uiso 1 1 calc R U . . .
C10 C 0.2078(5) 0.5366(9) 0.3030(8) 0.105(6) Uani 1 1 d . . . . .
H10 H 0.1923 0.5545 0.2548 0.126 Uiso 1 1 calc R U . . .
C11 C 0.2717(5) 0.5229(6) 0.3355(6) 0.069(3) Uani 1 1 d . . . . .
H11 H 0.3006 0.5327 0.3104 0.082 Uiso 1 1 calc R U . . .
C12 C 0.2912(4) 0.4948(5) 0.4051(5) 0.046(2) Uani 1 1 d . . . . .
C13 C 0.3975(4) 0.4580(4) 0.4058(5) 0.043(2) Uani 1 1 d . . . . .
H13 H 0.3911 0.4585 0.3536 0.052 Uiso 1 1 calc R U . . .
C14 C 0.4491(4) 0.4376(4) 0.4604(5) 0.0410(19) Uani 1 1 d . . . . .
H14 H 0.4854 0.4210 0.4535 0.049 Uiso 1 1 calc R U . . .
C15 C 0.4832(3) 0.4396(4) 0.6035(5) 0.0355(17) Uani 1 1 d . . . . .
C016 C 0.4034(4) 0.7042(4) 0.5139(5) 0.0433(19) Uani 1 1 d . . . . .
C16 C 0.5329(4) 0.3985(4) 0.6167(5) 0.043(2) Uani 1 1 d . . . . .
H16 H 0.5361 0.3712 0.5794 0.052 Uiso 1 1 calc R U . . .
C17 C 0.5778(4) 0.4002(5) 0.6884(5) 0.046(2) Uani 1 1 d . . . . .
H17 H 0.6125 0.3738 0.7000 0.055 Uiso 1 1 calc R U . . .
C18 C 0.5711(4) 0.4404(4) 0.7423(5) 0.0420(19) Uani 1 1 d . . . . .
H18 H 0.6018 0.4426 0.7902 0.050 Uiso 1 1 calc R U . . .
C19 C 0.5180(4) 0.4779(4) 0.7246(5) 0.0377(18) Uani 1 1 d . . . . .
H19 H 0.5125 0.5036 0.7623 0.045 Uiso 1 1 calc R U . . .
C20 C 0.2452(4) 0.6849(5) 0.7706(6) 0.053(2) Uani 1 1 d . . . . .
H20 H 0.2491 0.6877 0.7222 0.063 Uiso 1 1 calc R U . . .
C21 C 0.2579(5) 0.7377(5) 0.8171(6) 0.057(2) Uani 1 1 d . . . . .
H21 H 0.2696 0.7746 0.7995 0.068 Uiso 1 1 calc R U . . .
C22 C 0.2528(5) 0.7339(6) 0.8881(6) 0.063(3) Uani 1 1 d . . . . .
H22 H 0.2600 0.7684 0.9197 0.076 Uiso 1 1 calc R U . . .
C23 C 0.2361(6) 0.6764(6) 0.9132(6) 0.065(3) Uani 1 1 d . . . . .
H23 H 0.2341 0.6715 0.9624 0.078 Uiso 1 1 calc R U . . .
C24 C 0.2231(5) 0.6281(5) 0.8625(6) 0.053(2) Uani 1 1 d . . . . .
C25 C 0.2038(4) 0.5178(4) 0.8391(5) 0.046(2) Uani 1 1 d . . . . .
C26 C 0.1661(7) 0.5612(6) 0.9288(8) 0.074(3) Uani 1 1 d . . . . .
H26 H 0.1583 0.5902 0.9619 0.089 Uiso 1 1 calc R U . . .
C27 C 0.1462(6) 0.5030(7) 0.9192(7) 0.073(3) Uani 1 1 d . . . . .
H27 H 0.1213 0.4836 0.9443 0.088 Uiso 1 1 calc R U . . .
C28 C 0.1655(4) 0.4129(5) 0.8432(6) 0.052(2) Uani 1 1 d . . . . .
C29 C 0.1176(5) 0.3744(6) 0.8502(7) 0.072(3) Uani 1 1 d . . . . .
H29 H 0.0851 0.3892 0.8669 0.087 Uiso 1 1 calc R U . . .
C30 C 0.1210(6) 0.3125(6) 0.8309(8) 0.075(4) Uani 1 1 d . . . . .
H30 H 0.0906 0.2845 0.8354 0.090 Uiso 1 1 calc R U . . .
C31 C 0.1701(5) 0.2927(6) 0.8049(8) 0.076(4) Uani 1 1 d . . . . .
H31 H 0.1729 0.2514 0.7925 0.091 Uiso 1 1 calc R U . . .
C32 C 0.2137(5) 0.3342(5) 0.7977(7) 0.059(3) Uani 1 1 d . . . . .
H32 H 0.2450 0.3209 0.7780 0.071 Uiso 1 1 calc R U . . .
C111 C 0.3695(3) 0.5668(4) 0.7013(5) 0.0370(18) Uani 1 1 d . . . . .
C112 C 0.3984(3) 0.6023(4) 0.7530(4) 0.0351(17) Uani 1 1 d . . . . .
C113 C 0.4384(4) 0.6578(4) 0.7889(5) 0.044(2) Uani 1 1 d . . . . .
C114 C 0.5038(5) 0.6490(6) 0.7801(8) 0.070(3) Uani 1 1 d . . . . .
H11A H 0.5287 0.6856 0.7971 0.105 Uiso 1 1 calc R U . . .
H11B H 0.4992 0.6415 0.7274 0.105 Uiso 1 1 calc R U . . .
H11C H 0.5245 0.6143 0.8102 0.105 Uiso 1 1 calc R U . . .
C115 C 0.4074(5) 0.7154(4) 0.7444(6) 0.055(2) Uani 1 1 d . . . . .
H11D H 0.3643 0.7183 0.7442 0.082 Uiso 1 1 calc R U . . .
H11E H 0.4080 0.7125 0.6928 0.082 Uiso 1 1 calc R U . . .
H11F H 0.4303 0.7515 0.7681 0.082 Uiso 1 1 calc R U . . .
C116 C 0.4430(6) 0.6656(5) 0.8723(6) 0.060(3) Uani 1 1 d . . . . .
H11G H 0.4616 0.6292 0.9003 0.091 Uiso 1 1 calc R U . . .
H11H H 0.4014 0.6717 0.8760 0.091 Uiso 1 1 calc R U . . .
H11I H 0.4690 0.7008 0.8933 0.091 Uiso 1 1 calc R U . . .
C121 C 0.2412(4) 0.4150(4) 0.6019(5) 0.0390(13) Uani 1 1 d . U . . .
C122 C 0.1912(4) 0.3845(4) 0.5854(5) 0.0393(13) Uani 1 1 d . U . . .
C123 C 0.1471(5) 0.3325(5) 0.5525(6) 0.056(2) Uani 1 1 d . U . . .
C124 C 0.0927(7) 0.3321(8) 0.5799(12) 0.109(5) Uani 1 1 d . U . . .
H12A H 0.0659 0.3668 0.5589 0.163 Uiso 1 1 calc R U . . .
H12B H 0.1070 0.3347 0.6346 0.163 Uiso 1 1 calc R U . . .
H12C H 0.0692 0.2945 0.5642 0.163 Uiso 1 1 calc R U . . .
C125 C 0.1824(7) 0.2708(7) 0.5793(12) 0.109(5) Uani 1 1 d . U . . .
H12D H 0.1966 0.2691 0.6340 0.164 Uiso 1 1 calc R U . . .
H12E H 0.2183 0.2683 0.5613 0.164 Uiso 1 1 calc R U . . .
H12F H 0.1543 0.2369 0.5591 0.164 Uiso 1 1 calc R U . . .
C126 C 0.1332(10) 0.3340(9) 0.4679(10) 0.133(6) Uani 1 1 d . U . . .
H12G H 0.1028 0.3659 0.4463 0.199 Uiso 1 1 calc R U . . .
H12H H 0.1164 0.2948 0.4465 0.199 Uiso 1 1 calc R U . . .
H12I H 0.1716 0.3423 0.4565 0.199 Uiso 1 1 calc R U . . .
C131 C 0.2119(3) 0.5594(4) 0.6302(5) 0.0402(18) Uani 1 1 d . U . . .
C132 C 0.1933(4) 0.6013(4) 0.5817(5) 0.0405(17) Uani 1 1 d . U . . .
C133 C 0.1475(4) 0.6467(5) 0.5307(7) 0.060(2) Uani 1 1 d . U . . .
C134 C 0.1735(6) 0.6881(8) 0.4960(12) 0.126(6) Uani 1 1 d . U . . .
H13A H 0.1986 0.6671 0.4700 0.190 Uiso 1 1 calc R U . . .
H13B H 0.2000 0.7158 0.5333 0.190 Uiso 1 1 calc R U . . .
H13C H 0.1407 0.7112 0.4598 0.190 Uiso 1 1 calc R U . . .
C135 C 0.1249(7) 0.6915(7) 0.5902(9) 0.095(4) Uani 1 1 d . U . . .
H13D H 0.0874 0.7139 0.5623 0.142 Uiso 1 1 calc R U . . .
H13E H 0.1581 0.7202 0.6144 0.142 Uiso 1 1 calc R U . . .
H13F H 0.1160 0.6664 0.6284 0.142 Uiso 1 1 calc R U . . .
C136 C 0.0866(6) 0.6166(8) 0.4997(10) 0.112(6) Uani 1 1 d . U . . .
H13G H 0.0542 0.6473 0.4809 0.168 Uiso 1 1 calc R U . . .
H13H H 0.0778 0.5927 0.5389 0.168 Uiso 1 1 calc R U . . .
H13I H 0.0874 0.5898 0.4586 0.168 Uiso 1 1 calc R U . . .
C141 C 0.3419(4) 0.4356(4) 0.7760(5) 0.0425(19) Uani 1 1 d . . . . .
C142 C 0.3772(4) 0.3895(4) 0.7912(5) 0.0382(18) Uani 1 1 d . . . . .
C143 C 0.4226(4) 0.3422(4) 0.8356(5) 0.0425(19) Uani 1 1 d . . . . .
C144 C 0.4426(4) 0.3596(5) 0.9203(5) 0.046(2) Uani 1 1 d . . . . .
H14A H 0.4623 0.3996 0.9275 0.070 Uiso 1 1 calc R U . . .
H14B H 0.4721 0.3295 0.9497 0.070 Uiso 1 1 calc R U . . .
H14C H 0.4059 0.3606 0.9369 0.070 Uiso 1 1 calc R U . . .
C145 C 0.3901(4) 0.2785(4) 0.8229(5) 0.049(2) Uani 1 1 d . . . . .
H14D H 0.3525 0.2802 0.8376 0.074 Uiso 1 1 calc R U . . .
H14E H 0.4185 0.2481 0.8533 0.074 Uiso 1 1 calc R U . . .
H14F H 0.3789 0.2675 0.7700 0.074 Uiso 1 1 calc R U . . .
C146 C 0.4811(4) 0.3401(5) 0.8089(6) 0.055(2) Uani 1 1 d . . . . .
H14G H 0.4679 0.3337 0.7547 0.083 Uiso 1 1 calc R U . . .
H14H H 0.5082 0.3068 0.8341 0.083 Uiso 1 1 calc R U . . .
H14I H 0.5037 0.3785 0.8211 0.083 Uiso 1 1 calc R U . . .
Cl1 Cl 0.0233(10) 0.1497(10) 0.4739(12) 0.144(6) Uiso 0.3 1 d D U P . .
Cl2 Cl -0.0332(14) 0.0377(13) 0.3801(16) 0.185(9) Uiso 0.3 1 d D U P . .
C38 C -0.033(3) 0.090(2) 0.451(4) 0.147(14) Uiso 0.3 1 d D U P . .
H38A H -0.0287 0.0672 0.4977 0.176 Uiso 0.3 1 calc R U P . .
H38B H -0.0749 0.1097 0.4367 0.176 Uiso 0.3 1 calc R U P . .
P1 P 0.76739(14) 0.3618(2) 0.86384(18) 0.0807(11) Uani 1 1 d . . . . .
F13 F 0.7355(4) 0.2939(5) 0.8512(5) 0.114(3) Uani 1 1 d . . . . .
F14 F 0.8013(4) 0.4290(4) 0.8773(5) 0.095(2) Uani 1 1 d . . . . .
F15 F 0.8193(3) 0.3383(4) 0.9397(4) 0.080(2) Uani 1 1 d . . . . .
F16 F 0.7158(4) 0.3869(7) 0.7876(5) 0.151(5) Uani 1 1 d . . . . .
F17 F 0.8123(4) 0.3415(5) 0.8168(4) 0.094(2) Uani 1 1 d . . . . .
F18 F 0.7243(4) 0.3825(6) 0.9133(6) 0.137(5) Uani 1 1 d . . . . .
C1S C -0.017(2) 0.1473(15) 0.650(3) 0.150(13) Uiso 0.5 1 d D U P . .
H1SA H 0.0255 0.1355 0.6772 0.225 Uiso 0.5 1 calc R U P . .
H1SB H -0.0210 0.1575 0.5983 0.225 Uiso 0.5 1 calc R U P . .
H1SC H -0.0453 0.1135 0.6503 0.225 Uiso 0.5 1 calc R U P . .
C6S C -0.0524(11) 0.3141(8) 0.7465(12) 0.097(6) Uiso 0.5 1 d G U P . .
H6S H -0.0584 0.3522 0.7665 0.117 Uiso 0.5 1 calc R U P . .
C7S C -0.0771(10) 0.2608(10) 0.7681(11) 0.104(7) Uiso 0.5 1 d G U P . .
H7S H -0.0996 0.2632 0.8026 0.125 Uiso 0.5 1 calc R U P . .
C3S C -0.0682(10) 0.2039(8) 0.7381(12) 0.096(6) Uiso 0.5 1 d G U P . .
H3S H -0.0847 0.1682 0.7526 0.116 Uiso 0.5 1 calc R U P . .
C2S C -0.0346(11) 0.2002(8) 0.6866(12) 0.098(6) Uiso 0.5 1 d DG U P . .
C4S C -0.0099(10) 0.2536(10) 0.6650(11) 0.096(6) Uiso 0.5 1 d G U P . .
H4S H 0.0127 0.2511 0.6305 0.116 Uiso 0.5 1 calc R U P . .
C5S C -0.0188(10) 0.3105(8) 0.6949(12) 0.100(6) Uiso 0.5 1 d G U P . .
H5S H -0.0022 0.3461 0.6804 0.120 Uiso 0.5 1 calc R U P . .
C8S C 0.2325(13) 0.4038(13) 0.0851(15) 0.079(7) Uiso 0.5 1 d . U P . .
H8SA H 0.2004 0.3788 0.0503 0.119 Uiso 0.5 1 calc R U P . .
H8SB H 0.2727 0.3954 0.0785 0.119 Uiso 0.5 1 calc R U P . .
H8SC H 0.2221 0.4467 0.0749 0.119 Uiso 0.5 1 calc R U P . .
C13S C 0.2909(5) 0.3552(7) 0.2948(7) 0.059(4) Uiso 0.5 1 d G U P . .
H13S H 0.3279 0.3419 0.3315 0.071 Uiso 0.5 1 calc R U P . .
C14S C 0.2911(5) 0.3689(7) 0.2214(8) 0.066(5) Uiso 0.5 1 d G U P . .
H14S H 0.3282 0.3646 0.2090 0.079 Uiso 0.5 1 calc R U P . .
C9S C 0.2358(6) 0.3888(7) 0.1665(6) 0.058(4) Uiso 0.5 1 d G U P . .
C10S C 0.1803(5) 0.3951(7) 0.1851(7) 0.061(4) Uiso 0.5 1 d G U P . .
H10S H 0.1433 0.4085 0.1484 0.073 Uiso 0.5 1 calc R U P . .
C11S C 0.1801(5) 0.3815(8) 0.2585(8) 0.074(5) Uiso 0.5 1 d G U P . .
H11S H 0.1430 0.3858 0.2709 0.089 Uiso 0.5 1 calc R U P . .
C12S C 0.2354(7) 0.3616(7) 0.3133(6) 0.066(5) Uiso 0.5 1 d G U P . .
H12S H 0.2353 0.3525 0.3624 0.079 Uiso 0.5 1 calc R U P . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 Cu2 2.5199(16) . ?
Cu1 Cu3 2.6996(17) . ?
Cu1 Cu4 2.6621(16) . ?
Cu1 Cu5 2.5279(15) . ?
Cu1 Cu6 2.7675(16) . ?
Cu1 Cu7 2.7048(16) . ?
Cu1 Cu8 2.5127(17) . ?
Cu1 Cu9 2.5218(17) . ?
Cu1 C111 2.280(8) . ?
Cu1 C121 2.295(9) . ?
Cu1 C131 2.188(8) . ?
Cu1 C141 2.206(9) . ?
Cu2 Cu3 2.5878(16) . ?
Cu2 O7 1.953(6) . ?
Cu2 C111 2.056(8) . ?
Cu2 C112 2.047(8) . ?
Cu2 C141 2.114(9) . ?
Cu3 Cu4 2.4617(17) . ?
Cu3 O8 2.125(6) . ?
Cu3 N8 2.116(8) . ?
Cu3 C25 2.066(9) . ?
Cu3 C141 1.990(9) . ?
Cu4 Cu5 2.5779(18) . ?
Cu4 O6 2.158(6) . ?
Cu4 N5 2.095(7) . ?
Cu4 C25 2.063(9) . ?
Cu4 C131 1.983(9) . ?
Cu5 O5 1.952(6) . ?
Cu5 C121 2.033(8) . ?
Cu5 C122 2.039(9) . ?
Cu5 C131 2.111(9) . ?
Cu6 Cu7 2.4849(16) . ?
Cu6 Cu9 2.5849(15) . ?
Cu6 O2 2.196(6) . ?
Cu6 N4 2.136(6) . ?
Cu6 C00Z 2.045(8) . ?
Cu6 C111 1.985(9) . ?
Cu7 Cu8 2.5426(16) . ?
Cu7 O3 2.177(6) . ?
Cu7 N1 2.078(8) . ?
Cu7 C00Z 2.075(8) . ?
Cu7 C121 1.972(8) . ?
Cu8 O4 1.955(6) . ?
Cu8 C121 2.095(8) . ?
Cu8 C141 2.045(9) . ?
Cu8 C142 2.031(8) . ?
Cu9 O1 1.965(6) . ?
Cu9 C111 2.136(8) . ?
Cu9 C131 2.048(8) . ?
Cu9 C132 2.045(8) . ?
F1 C016 1.340(11) . ?
F2 C016 1.349(10) . ?
F3 C016 1.310(10) . ?
F4 C7 1.321(12) . ?
F5 C7 1.331(14) . ?
F6 C7 1.316(12) . ?
F7 C5 1.33(2) . ?
F8 C5 1.28(2) . ?
F9 C5 1.313(19) . ?
F10 C3 1.309(13) . ?
F11 C3 1.342(13) . ?
F12 C3 1.327(11) . ?
O1 C1 1.249(9) . ?
O2 C1 1.248(10) . ?
O3 C2 1.226(10) . ?
O4 C2 1.265(11) . ?
O5 C4 1.244(14) . ?
O6 C4 1.230(13) . ?
O7 C6 1.255(11) . ?
O8 C6 1.236(11) . ?
N1 C8 1.339(12) . ?
N1 C12 1.347(11) . ?
N2 C00Z 1.362(10) . ?
N2 C12 1.416(10) . ?
N2 C13 1.395(11) . ?
N3 C00Z 1.367(10) . ?
N3 C14 1.400(10) . ?
N3 C15 1.419(10) . ?
N4 C15 1.339(11) . ?
N4 C19 1.342(10) . ?
N5 C20 1.312(13) . ?
N5 C24 1.346(13) . ?
N6 C24 1.419(14) . ?
N6 C25 1.354(13) . ?
N6 C26 1.400(13) . ?
N7 C25 1.358(12) . ?
N7 C27 1.406(14) . ?
N7 C28 1.416(14) . ?
N8 C28 1.345(13) . ?
N8 C32 1.342(14) . ?
C1 C016 1.534(12) . ?
C2 C3 1.533(13) . ?
C4 C5 1.550(16) . ?
C6 C7 1.539(12) . ?
C8 H8 0.9300 . ?
C8 C9 1.371(16) . ?
C9 H9 0.9300 . ?
C9 C10 1.381(17) . ?
C10 H10 0.9300 . ?
C10 C11 1.389(15) . ?
C11 H11 0.9300 . ?
C11 C12 1.362(14) . ?
C13 H13 0.9300 . ?
C13 C14 1.339(12) . ?
C14 H14 0.9300 . ?
C15 C16 1.378(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.381(12) . ?
C17 H17 0.9300 . ?
C17 C18 1.367(13) . ?
C18 H18 0.9300 . ?
C18 C19 1.383(12) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C20 C21 1.402(15) . ?
C21 H21 0.9300 . ?
C21 C22 1.356(15) . ?
C22 H22 0.9300 . ?
C22 C23 1.418(17) . ?
C23 H23 0.9300 . ?
C23 C24 1.370(15) . ?
C26 H26 0.9300 . ?
C26 C27 1.326(18) . ?
C27 H27 0.9300 . ?
C28 C29 1.390(14) . ?
C29 H29 0.9300 . ?
C29 C30 1.394(19) . ?
C30 H30 0.9300 . ?
C30 C31 1.394(19) . ?
C31 H31 0.9300 . ?
C31 C32 1.358(16) . ?
C32 H32 0.9300 . ?
C111 C112 1.235(12) . ?
C112 C113 1.515(11) . ?
C113 C114 1.528(13) . ?
C113 C115 1.531(13) . ?
C113 C116 1.522(13) . ?
C114 H11A 0.9600 . ?
C114 H11B 0.9600 . ?
C114 H11C 0.9600 . ?
C115 H11D 0.9600 . ?
C115 H11E 0.9600 . ?
C115 H11F 0.9600 . ?
C116 H11G 0.9600 . ?
C116 H11H 0.9600 . ?
C116 H11I 0.9600 . ?
C121 C122 1.246(12) . ?
C122 C123 1.490(12) . ?
C123 C124 1.454(17) . ?
C123 C125 1.547(19) . ?
C123 C126 1.50(2) . ?
C124 H12A 0.9600 . ?
C124 H12B 0.9600 . ?
C124 H12C 0.9600 . ?
C125 H12D 0.9600 . ?
C125 H12E 0.9600 . ?
C125 H12F 0.9600 . ?
C126 H12G 0.9600 . ?
C126 H12H 0.9600 . ?
C126 H12I 0.9600 . ?
C131 C132 1.249(12) . ?
C132 C133 1.509(12) . ?
C133 C134 1.337(18) . ?
C133 C135 1.662(19) . ?
C133 C136 1.448(15) . ?
C134 H13A 0.9600 . ?
C134 H13B 0.9600 . ?
C134 H13C 0.9600 . ?
C135 H13D 0.9600 . ?
C135 H13E 0.9600 . ?
C135 H13F 0.9600 . ?
C136 H13G 0.9600 . ?
C136 H13H 0.9600 . ?
C136 H13I 0.9600 . ?
C141 C142 1.246(12) . ?
C142 C143 1.487(12) . ?
C143 C144 1.533(12) . ?
C143 C145 1.540(13) . ?
C143 C146 1.533(12) . ?
C144 H14A 0.9600 . ?
C144 H14B 0.9600 . ?
C144 H14C 0.9600 . ?
C145 H14D 0.9600 . ?
C145 H14E 0.9600 . ?
C145 H14F 0.9600 . ?
C146 H14G 0.9600 . ?
C146 H14H 0.9600 . ?
C146 H14I 0.9600 . ?
Cl1 C38 1.752(10) . ?
Cl2 C38 1.744(10) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
P1 F13 1.615(11) . ?
P1 F14 1.620(11) . ?
P1 F15 1.589(7) . ?
P1 F16 1.602(8) . ?
P1 F17 1.583(8) . ?
P1 F18 1.586(9) . ?
C1S H1SA 0.9600 . ?
C1S H1SB 0.9600 . ?
C1S H1SC 0.9600 . ?
C1S C2S 1.442(10) . ?
C6S H6S 0.9300 . ?
C6S C7S 1.3900 . ?
C6S C5S 1.3900 . ?
C7S H7S 0.9300 . ?
C7S C3S 1.3900 . ?
C3S H3S 0.9300 . ?
C3S C2S 1.3900 . ?
C2S C4S 1.3900 . ?
C4S H4S 0.9300 . ?
C4S C5S 1.3900 . ?
C5S H5S 0.9300 . ?
C8S H8SA 0.9600 . ?
C8S H8SB 0.9600 . ?
C8S H8SC 0.9600 . ?
C8S C9S 1.52(3) . ?
C13S H13S 0.9300 . ?
C13S C14S 1.3900 . ?
C13S C12S 1.3900 . ?
C14S H14S 0.9300 . ?
C14S C9S 1.3900 . ?
C9S C10S 1.3900 . ?
C10S H10S 0.9300 . ?
C10S C11S 1.3900 . ?
C11S H11S 0.9300 . ?
C11S C12S 1.3900 . ?
C12S H12S 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu2 Cu1 Cu3 59.33(4) . . ?
Cu2 Cu1 Cu4 85.53(5) . . ?
Cu2 Cu1 Cu5 140.96(6) . . ?
Cu2 Cu1 Cu6 85.64(5) . . ?
Cu2 Cu1 Cu7 132.35(5) . . ?
Cu2 Cu1 Cu9 97.05(6) . . ?
Cu3 Cu1 Cu6 142.18(5) . . ?
Cu3 Cu1 Cu7 142.64(6) . . ?
Cu4 Cu1 Cu3 54.66(4) . . ?
Cu4 Cu1 Cu6 142.80(6) . . ?
Cu4 Cu1 Cu7 141.71(5) . . ?
Cu5 Cu1 Cu3 84.77(5) . . ?
Cu5 Cu1 Cu4 59.50(5) . . ?
Cu5 Cu1 Cu6 132.50(6) . . ?
Cu5 Cu1 Cu7 85.25(5) . . ?
Cu7 Cu1 Cu6 54.00(4) . . ?
Cu8 Cu1 Cu2 97.51(5) . . ?
Cu8 Cu1 Cu3 87.05(5) . . ?
Cu8 Cu1 Cu4 133.29(6) . . ?
Cu8 Cu1 Cu5 95.19(6) . . ?
Cu8 Cu1 Cu6 83.71(5) . . ?
Cu8 Cu1 Cu7 58.19(4) . . ?
Cu8 Cu1 Cu9 137.85(6) . . ?
Cu9 Cu1 Cu3 133.89(6) . . ?
Cu9 Cu1 Cu4 87.14(5) . . ?
Cu9 Cu1 Cu5 97.84(5) . . ?
Cu9 Cu1 Cu6 58.29(4) . . ?
Cu9 Cu1 Cu7 83.15(5) . . ?
C111 Cu1 Cu2 50.4(2) . . ?
C111 Cu1 Cu3 108.1(2) . . ?
C111 Cu1 Cu4 104.3(2) . . ?
C111 Cu1 Cu5 148.8(2) . . ?
C111 Cu1 Cu6 45.1(2) . . ?
C111 Cu1 Cu7 98.8(2) . . ?
C111 Cu1 Cu8 113.3(2) . . ?
C111 Cu1 Cu9 52.5(2) . . ?
C111 Cu1 C121 144.3(3) . . ?
C121 Cu1 Cu2 147.1(2) . . ?
C121 Cu1 Cu3 103.3(2) . . ?
C121 Cu1 Cu4 107.6(2) . . ?
C121 Cu1 Cu5 49.6(2) . . ?
C121 Cu1 Cu6 99.2(2) . . ?
C121 Cu1 Cu7 45.6(2) . . ?
C121 Cu1 Cu8 51.4(2) . . ?
C121 Cu1 Cu9 113.2(2) . . ?
C131 Cu1 Cu2 116.2(2) . . ?
C131 Cu1 Cu3 101.3(2) . . ?
C131 Cu1 Cu4 47.0(2) . . ?
C131 Cu1 Cu5 52.6(2) . . ?
C131 Cu1 Cu6 107.2(2) . . ?
C131 Cu1 Cu7 100.8(2) . . ?
C131 Cu1 Cu8 144.9(2) . . ?
C131 Cu1 Cu9 51.0(2) . . ?
C131 Cu1 C111 96.5(3) . . ?
C131 Cu1 C121 93.6(3) . . ?
C131 Cu1 C141 147.9(3) . . ?
C141 Cu1 Cu2 52.6(2) . . ?
C141 Cu1 Cu3 46.5(2) . . ?
C141 Cu1 Cu4 101.0(2) . . ?
C141 Cu1 Cu5 113.8(2) . . ?
C141 Cu1 Cu6 102.0(2) . . ?
C141 Cu1 Cu7 107.1(2) . . ?
C141 Cu1 Cu8 50.9(2) . . ?
C141 Cu1 Cu9 147.1(2) . . ?
C141 Cu1 C111 94.7(3) . . ?
C141 Cu1 C121 94.8(3) . . ?
Cu1 Cu2 Cu3 63.80(5) . . ?
O7 Cu2 Cu1 149.74(19) . . ?
O7 Cu2 Cu3 85.96(18) . . ?
O7 Cu2 C111 149.0(3) . . ?
O7 Cu2 C112 113.9(3) . . ?
O7 Cu2 C141 105.4(3) . . ?
C111 Cu2 Cu1 58.7(2) . . ?
C111 Cu2 Cu3 120.5(2) . . ?
C111 Cu2 C141 104.6(3) . . ?
C112 Cu2 Cu1 92.0(2) . . ?
C112 Cu2 Cu3 144.1(2) . . ?
C112 Cu2 C111 35.0(3) . . ?
C112 Cu2 C141 138.3(3) . . ?
C141 Cu2 Cu1 56.0(2) . . ?
C141 Cu2 Cu3 48.8(2) . . ?
Cu2 Cu3 Cu1 56.88(4) . . ?
Cu4 Cu3 Cu1 61.90(5) . . ?
Cu4 Cu3 Cu2 88.35(5) . . ?
O8 Cu3 Cu1 140.61(17) . . ?
O8 Cu3 Cu2 84.14(17) . . ?
O8 Cu3 Cu4 128.37(19) . . ?
N8 Cu3 Cu1 118.6(2) . . ?
N8 Cu3 Cu2 161.0(2) . . ?
N8 Cu3 Cu4 105.8(2) . . ?
N8 Cu3 O8 96.2(3) . . ?
C25 Cu3 Cu1 115.2(3) . . ?
C25 Cu3 Cu2 117.4(3) . . ?
C25 Cu3 Cu4 53.4(3) . . ?
C25 Cu3 O8 85.9(3) . . ?
C25 Cu3 N8 81.5(4) . . ?
C141 Cu3 Cu1 53.6(2) . . ?
C141 Cu3 Cu2 53.1(3) . . ?
C141 Cu3 Cu4 115.2(3) . . ?
C141 Cu3 O8 100.2(3) . . ?
C141 Cu3 N8 108.5(4) . . ?
C141 Cu3 C25 167.4(4) . . ?
Cu3 Cu4 Cu1 63.45(5) . . ?
Cu3 Cu4 Cu5 88.78(6) . . ?
Cu5 Cu4 Cu1 57.66(4) . . ?
O6 Cu4 Cu1 139.9(2) . . ?
O6 Cu4 Cu3 126.9(2) . . ?
O6 Cu4 Cu5 82.7(2) . . ?
N5 Cu4 Cu1 118.59(19) . . ?
N5 Cu4 Cu3 107.3(2) . . ?
N5 Cu4 Cu5 160.0(2) . . ?
N5 Cu4 O6 96.3(3) . . ?
C25 Cu4 Cu1 116.9(3) . . ?
C25 Cu4 Cu3 53.5(3) . . ?
C25 Cu4 Cu5 117.8(3) . . ?
C25 Cu4 O6 85.2(3) . . ?
C25 Cu4 N5 81.9(3) . . ?
C131 Cu4 Cu1 53.8(2) . . ?
C131 Cu4 Cu3 116.8(2) . . ?
C131 Cu4 Cu5 53.2(3) . . ?
C131 Cu4 O6 99.1(3) . . ?
C131 Cu4 N5 107.7(3) . . ?
C131 Cu4 C25 168.9(4) . . ?
Cu1 Cu5 Cu4 62.84(5) . . ?
O5 Cu5 Cu1 150.4(2) . . ?
O5 Cu5 Cu4 87.6(2) . . ?
O5 Cu5 C121 147.8(3) . . ?
O5 Cu5 C122 112.2(3) . . ?
O5 Cu5 C131 106.8(3) . . ?
C121 Cu5 Cu1 59.2(2) . . ?
C121 Cu5 Cu4 120.1(2) . . ?
C121 Cu5 C122 35.6(3) . . ?
C121 Cu5 C131 104.1(3) . . ?
C122 Cu5 Cu1 93.6(2) . . ?
C122 Cu5 Cu4 145.9(2) . . ?
C122 Cu5 C131 137.7(3) . . ?
C131 Cu5 Cu1 55.4(2) . . ?
C131 Cu5 Cu4 48.8(2) . . ?
Cu7 Cu6 Cu1 61.71(4) . . ?
Cu7 Cu6 Cu9 86.40(5) . . ?
Cu9 Cu6 Cu1 56.09(4) . . ?
O2 Cu6 Cu1 137.90(15) . . ?
O2 Cu6 Cu7 128.55(17) . . ?
O2 Cu6 Cu9 82.44(15) . . ?
N4 Cu6 Cu1 120.51(18) . . ?
N4 Cu6 Cu7 109.19(19) . . ?
N4 Cu6 Cu9 160.56(19) . . ?
N4 Cu6 O2 95.8(2) . . ?
C00Z Cu6 Cu1 115.1(2) . . ?
C00Z Cu6 Cu7 53.5(2) . . ?
C00Z Cu6 Cu9 118.1(2) . . ?
C00Z Cu6 O2 89.1(3) . . ?
C00Z Cu6 N4 81.1(3) . . ?
C111 Cu6 Cu1 54.4(2) . . ?
C111 Cu6 Cu7 115.7(2) . . ?
C111 Cu6 Cu9 53.8(2) . . ?
C111 Cu6 O2 97.1(3) . . ?
C111 Cu6 N4 107.6(3) . . ?
C111 Cu6 C00Z 168.6(3) . . ?
Cu6 Cu7 Cu1 64.29(4) . . ?
Cu6 Cu7 Cu8 89.14(5) . . ?
Cu8 Cu7 Cu1 57.12(4) . . ?
O3 Cu7 Cu1 138.97(16) . . ?
O3 Cu7 Cu6 126.00(16) . . ?
O3 Cu7 Cu8 82.26(16) . . ?
N1 Cu7 Cu1 119.3(2) . . ?
N1 Cu7 Cu6 105.1(2) . . ?
N1 Cu7 Cu8 162.1(2) . . ?
N1 Cu7 O3 97.3(3) . . ?
C00Z Cu7 Cu1 116.6(2) . . ?
C00Z Cu7 Cu6 52.4(2) . . ?
C00Z Cu7 Cu8 115.8(2) . . ?
C00Z Cu7 O3 84.3(3) . . ?
C00Z Cu7 N1 81.8(3) . . ?
C121 Cu7 Cu1 56.2(3) . . ?
C121 Cu7 Cu6 120.0(3) . . ?
C121 Cu7 Cu8 53.5(2) . . ?
C121 Cu7 O3 96.6(3) . . ?
C121 Cu7 N1 109.1(3) . . ?
C121 Cu7 C00Z 168.8(3) . . ?
Cu1 Cu8 Cu7 64.69(5) . . ?
O4 Cu8 Cu1 154.02(19) . . ?
O4 Cu8 Cu7 89.38(19) . . ?
O4 Cu8 C121 106.0(3) . . ?
O4 Cu8 C141 146.4(3) . . ?
O4 Cu8 C142 110.9(3) . . ?
C121 Cu8 Cu1 58.9(2) . . ?
C121 Cu8 Cu7 49.2(2) . . ?
C141 Cu8 Cu1 56.8(2) . . ?
C141 Cu8 Cu7 119.1(3) . . ?
C141 Cu8 C121 106.3(3) . . ?
C142 Cu8 Cu1 91.5(2) . . ?
C142 Cu8 Cu7 145.2(2) . . ?
C142 Cu8 C121 139.2(3) . . ?
C142 Cu8 C141 35.6(3) . . ?
Cu1 Cu9 Cu6 65.62(5) . . ?
O1 Cu9 Cu1 153.72(17) . . ?
O1 Cu9 Cu6 88.18(17) . . ?
O1 Cu9 C111 103.7(3) . . ?
O1 Cu9 C131 149.0(3) . . ?
O1 Cu9 C132 113.5(3) . . ?
C111 Cu9 Cu1 57.9(2) . . ?
C111 Cu9 Cu6 48.6(2) . . ?
C131 Cu9 Cu1 56.1(2) . . ?
C131 Cu9 Cu6 119.1(2) . . ?
C131 Cu9 C111 105.6(3) . . ?
C132 Cu9 Cu1 90.9(3) . . ?
C132 Cu9 Cu6 145.5(3) . . ?
C132 Cu9 C111 138.5(3) . . ?
C132 Cu9 C131 35.5(3) . . ?
C1 O1 Cu9 122.0(5) . . ?
C1 O2 Cu6 117.4(5) . . ?
C2 O3 Cu7 117.7(5) . . ?
C2 O4 Cu8 119.9(6) . . ?
C4 O5 Cu5 121.2(6) . . ?
C4 O6 Cu4 116.4(6) . . ?
C6 O7 Cu2 122.8(6) . . ?
C6 O8 Cu3 116.6(6) . . ?
C8 N1 Cu7 131.0(7) . . ?
C8 N1 C12 117.1(8) . . ?
C12 N1 Cu7 111.8(5) . . ?
C00Z N2 C12 122.5(7) . . ?
C00Z N2 C13 111.8(7) . . ?
C13 N2 C12 124.9(7) . . ?
C00Z N3 C14 111.4(6) . . ?
C00Z N3 C15 122.2(7) . . ?
C14 N3 C15 125.6(6) . . ?
C15 N4 Cu6 111.5(5) . . ?
C15 N4 C19 116.5(7) . . ?
C19 N4 Cu6 131.4(6) . . ?
C20 N5 Cu4 130.8(7) . . ?
C20 N5 C24 117.7(8) . . ?
C24 N5 Cu4 111.5(6) . . ?
C25 N6 C24 123.1(8) . . ?
C25 N6 C26 112.2(9) . . ?
C26 N6 C24 124.1(9) . . ?
C25 N7 C27 110.4(9) . . ?
C25 N7 C28 122.7(8) . . ?
C27 N7 C28 126.5(9) . . ?
C28 N8 Cu3 111.0(7) . . ?
C32 N8 Cu3 130.5(7) . . ?
C32 N8 C28 118.5(9) . . ?
Cu6 C00Z Cu7 74.2(3) . . ?
N2 C00Z Cu6 137.0(6) . . ?
N2 C00Z Cu7 104.3(5) . . ?
N2 C00Z N3 103.4(7) . . ?
N3 C00Z Cu6 108.2(5) . . ?
N3 C00Z Cu7 132.9(6) . . ?
O1 C1 C016 114.4(7) . . ?
O2 C1 O1 128.9(8) . . ?
O2 C1 C016 116.7(7) . . ?
O3 C2 O4 129.6(8) . . ?
O3 C2 C3 115.6(8) . . ?
O4 C2 C3 114.8(8) . . ?
F10 C3 F11 107.1(9) . . ?
F10 C3 F12 107.7(9) . . ?
F10 C3 C2 114.2(8) . . ?
F11 C3 C2 109.0(9) . . ?
F12 C3 F11 106.5(8) . . ?
F12 C3 C2 111.9(8) . . ?
O5 C4 C5 113.8(11) . . ?
O6 C4 O5 130.8(9) . . ?
O6 C4 C5 115.4(11) . . ?
F7 C5 C4 110.6(15) . . ?
F8 C5 F7 108.0(16) . . ?
F8 C5 F9 111.5(18) . . ?
F8 C5 C4 110.7(15) . . ?
F9 C5 F7 102.3(16) . . ?
F9 C5 C4 113.4(13) . . ?
O7 C6 C7 113.7(8) . . ?
O8 C6 O7 129.5(8) . . ?
O8 C6 C7 116.8(8) . . ?
F4 C7 F5 105.3(9) . . ?
F4 C7 C6 112.2(8) . . ?
F5 C7 C6 111.1(9) . . ?
F6 C7 F4 107.7(9) . . ?
F6 C7 F5 106.7(9) . . ?
F6 C7 C6 113.4(8) . . ?
N1 C8 H8 118.9 . . ?
N1 C8 C9 122.1(10) . . ?
C9 C8 H8 118.9 . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.4(10) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 121.1 . . ?
C9 C10 C11 117.7(10) . . ?
C11 C10 H10 121.1 . . ?
C10 C11 H11 120.8 . . ?
C12 C11 C10 118.5(10) . . ?
C12 C11 H11 120.8 . . ?
N1 C12 N2 113.2(7) . . ?
N1 C12 C11 124.1(8) . . ?
C11 C12 N2 122.7(8) . . ?
N2 C13 H13 126.6 . . ?
C14 C13 N2 106.7(8) . . ?
C14 C13 H13 126.6 . . ?
N3 C14 H14 126.7 . . ?
C13 C14 N3 106.6(7) . . ?
C13 C14 H14 126.7 . . ?
N4 C15 N3 113.3(7) . . ?
N4 C15 C16 125.1(7) . . ?
C16 C15 N3 121.5(8) . . ?
F1 C016 F2 105.9(7) . . ?
F1 C016 C1 110.1(7) . . ?
F2 C016 C1 111.2(7) . . ?
F3 C016 F1 108.5(8) . . ?
F3 C016 F2 107.7(7) . . ?
F3 C016 C1 113.1(7) . . ?
C15 C16 H16 121.7 . . ?
C15 C16 C17 116.6(8) . . ?
C17 C16 H16 121.7 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.2(8) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 120.5 . . ?
C17 C18 C19 118.9(8) . . ?
C19 C18 H18 120.5 . . ?
N4 C19 C18 122.6(8) . . ?
N4 C19 H19 118.7 . . ?
C18 C19 H19 118.7 . . ?
N5 C20 H20 118.3 . . ?
N5 C20 C21 123.4(10) . . ?
C21 C20 H20 118.3 . . ?
C20 C21 H21 120.6 . . ?
C22 C21 C20 118.7(11) . . ?
C22 C21 H21 120.6 . . ?
C21 C22 H22 120.6 . . ?
C21 C22 C23 118.8(10) . . ?
C23 C22 H22 120.6 . . ?
C22 C23 H23 121.2 . . ?
C24 C23 C22 117.7(10) . . ?
C24 C23 H23 121.2 . . ?
N5 C24 N6 113.4(8) . . ?
N5 C24 C23 123.6(10) . . ?
C23 C24 N6 123.0(10) . . ?
Cu4 C25 Cu3 73.2(3) . . ?
N6 C25 Cu3 136.3(7) . . ?
N6 C25 Cu4 105.7(6) . . ?
N6 C25 N7 103.9(8) . . ?
N7 C25 Cu3 105.9(7) . . ?
N7 C25 Cu4 135.4(7) . . ?
N6 C26 H26 127.2 . . ?
C27 C26 N6 105.7(11) . . ?
C27 C26 H26 127.2 . . ?
N7 C27 H27 126.1 . . ?
C26 C27 N7 107.8(10) . . ?
C26 C27 H27 126.1 . . ?
N8 C28 N7 113.9(9) . . ?
N8 C28 C29 123.7(11) . . ?
C29 C28 N7 122.3(10) . . ?
C28 C29 H29 121.8 . . ?
C28 C29 C30 116.5(12) . . ?
C30 C29 H29 121.8 . . ?
C29 C30 H30 120.2 . . ?
C29 C30 C31 119.6(11) . . ?
C31 C30 H30 120.2 . . ?
C30 C31 H31 120.1 . . ?
C32 C31 C30 119.7(12) . . ?
C32 C31 H31 120.1 . . ?
N8 C32 C31 122.0(12) . . ?
N8 C32 H32 119.0 . . ?
C31 C32 H32 119.0 . . ?
Cu2 C111 Cu1 70.9(2) . . ?
Cu2 C111 Cu9 128.6(4) . . ?
Cu6 C111 Cu1 80.6(3) . . ?
Cu6 C111 Cu2 125.8(4) . . ?
Cu6 C111 Cu9 77.6(3) . . ?
Cu9 C111 Cu1 69.6(2) . . ?
C112 C111 Cu1 138.0(7) . . ?
C112 C111 Cu2 72.1(5) . . ?
C112 C111 Cu6 138.8(6) . . ?
C112 C111 Cu9 123.1(7) . . ?
C111 C112 Cu2 72.9(5) . . ?
C111 C112 C113 157.0(8) . . ?
C113 C112 Cu2 129.8(6) . . ?
C112 C113 C114 107.5(7) . . ?
C112 C113 C115 107.9(7) . . ?
C112 C113 C116 111.9(8) . . ?
C114 C113 C115 109.0(9) . . ?
C116 C113 C114 111.3(9) . . ?
C116 C113 C115 109.1(8) . . ?
C113 C114 H11A 109.5 . . ?
C113 C114 H11B 109.5 . . ?
C113 C114 H11C 109.5 . . ?
H11A C114 H11B 109.5 . . ?
H11A C114 H11C 109.5 . . ?
H11B C114 H11C 109.5 . . ?
C113 C115 H11D 109.5 . . ?
C113 C115 H11E 109.5 . . ?
C113 C115 H11F 109.5 . . ?
H11D C115 H11E 109.5 . . ?
H11D C115 H11F 109.5 . . ?
H11E C115 H11F 109.5 . . ?
C113 C116 H11G 109.5 . . ?
C113 C116 H11H 109.5 . . ?
C113 C116 H11I 109.5 . . ?
H11G C116 H11H 109.5 . . ?
H11G C116 H11I 109.5 . . ?
H11H C116 H11I 109.5 . . ?
Cu5 C121 Cu1 71.2(3) . . ?
Cu5 C121 Cu8 128.7(4) . . ?
Cu7 C121 Cu1 78.3(3) . . ?
Cu7 C121 Cu5 124.6(4) . . ?
Cu7 C121 Cu8 77.3(3) . . ?
Cu8 C121 Cu1 69.7(2) . . ?
C122 C121 Cu1 139.9(7) . . ?
C122 C121 Cu5 72.4(5) . . ?
C122 C121 Cu7 138.1(7) . . ?
C122 C121 Cu8 124.8(7) . . ?
C121 C122 Cu5 71.9(6) . . ?
C121 C122 C123 157.1(9) . . ?
C123 C122 Cu5 130.4(6) . . ?
C122 C123 C125 108.6(9) . . ?
C122 C123 C126 107.4(10) . . ?
C124 C123 C122 112.1(9) . . ?
C124 C123 C125 106.2(13) . . ?
C124 C123 C126 116.6(13) . . ?
C126 C123 C125 105.5(14) . . ?
C123 C124 H12A 109.5 . . ?
C123 C124 H12B 109.5 . . ?
C123 C124 H12C 109.5 . . ?
H12A C124 H12B 109.5 . . ?
H12A C124 H12C 109.5 . . ?
H12B C124 H12C 109.5 . . ?
C123 C125 H12D 109.5 . . ?
C123 C125 H12E 109.5 . . ?
C123 C125 H12F 109.5 . . ?
H12D C125 H12E 109.5 . . ?
H12D C125 H12F 109.5 . . ?
H12E C125 H12F 109.5 . . ?
C123 C126 H12G 109.5 . . ?
C123 C126 H12H 109.5 . . ?
C123 C126 H12I 109.5 . . ?
H12G C126 H12H 109.5 . . ?
H12G C126 H12I 109.5 . . ?
H12H C126 H12I 109.5 . . ?
Cu4 C131 Cu1 79.2(3) . . ?
Cu4 C131 Cu5 78.0(3) . . ?
Cu4 C131 Cu9 124.9(4) . . ?
Cu5 C131 Cu1 72.0(3) . . ?
Cu9 C131 Cu1 73.0(2) . . ?
Cu9 C131 Cu5 132.5(4) . . ?
C132 C131 Cu1 142.8(6) . . ?
C132 C131 Cu4 132.6(7) . . ?
C132 C131 Cu5 126.1(7) . . ?
C132 C131 Cu9 72.1(5) . . ?
C131 C132 Cu9 72.4(5) . . ?
C131 C132 C133 157.5(8) . . ?
C133 C132 Cu9 129.8(6) . . ?
C132 C133 C135 104.6(9) . . ?
C134 C133 C132 115.3(9) . . ?
C134 C133 C135 101.3(14) . . ?
C134 C133 C136 127.3(12) . . ?
C136 C133 C132 108.4(9) . . ?
C136 C133 C135 94.6(12) . . ?
C133 C134 H13A 109.5 . . ?
C133 C134 H13B 109.5 . . ?
C133 C134 H13C 109.5 . . ?
H13A C134 H13B 109.5 . . ?
H13A C134 H13C 109.5 . . ?
H13B C134 H13C 109.5 . . ?
C133 C135 H13D 109.5 . . ?
C133 C135 H13E 109.5 . . ?
C133 C135 H13F 109.5 . . ?
H13D C135 H13E 109.5 . . ?
H13D C135 H13F 109.5 . . ?
H13E C135 H13F 109.5 . . ?
C133 C136 H13G 109.5 . . ?
C133 C136 H13H 109.5 . . ?
C133 C136 H13I 109.5 . . ?
H13G C136 H13H 109.5 . . ?
H13G C136 H13I 109.5 . . ?
H13H C136 H13I 109.5 . . ?
Cu2 C141 Cu1 71.3(3) . . ?
Cu3 C141 Cu1 79.9(3) . . ?
Cu3 C141 Cu2 78.1(3) . . ?
Cu3 C141 Cu8 125.8(4) . . ?
Cu8 C141 Cu1 72.3(3) . . ?
Cu8 C141 Cu2 130.9(4) . . ?
C142 C141 Cu1 141.1(7) . . ?
C142 C141 Cu2 125.5(7) . . ?
C142 C141 Cu3 134.3(7) . . ?
C142 C141 Cu8 71.6(6) . . ?
C141 C142 Cu8 72.8(5) . . ?
C141 C142 C143 160.8(9) . . ?
C143 C142 Cu8 126.2(6) . . ?
C142 C143 C144 108.6(8) . . ?
C142 C143 C145 109.1(7) . . ?
C142 C143 C146 109.9(7) . . ?
C144 C143 C145 110.2(7) . . ?
C144 C143 C146 109.8(7) . . ?
C146 C143 C145 109.3(8) . . ?
C143 C144 H14A 109.5 . . ?
C143 C144 H14B 109.5 . . ?
C143 C144 H14C 109.5 . . ?
H14A C144 H14B 109.5 . . ?
H14A C144 H14C 109.5 . . ?
H14B C144 H14C 109.5 . . ?
C143 C145 H14D 109.5 . . ?
C143 C145 H14E 109.5 . . ?
C143 C145 H14F 109.5 . . ?
H14D C145 H14E 109.5 . . ?
H14D C145 H14F 109.5 . . ?
H14E C145 H14F 109.5 . . ?
C143 C146 H14G 109.5 . . ?
C143 C146 H14H 109.5 . . ?
C143 C146 H14I 109.5 . . ?
H14G C146 H14H 109.5 . . ?
H14G C146 H14I 109.5 . . ?
H14H C146 H14I 109.5 . . ?
Cl1 C38 H38A 107.6 . . ?
Cl1 C38 H38B 107.6 . . ?
Cl2 C38 Cl1 119(2) . . ?
Cl2 C38 H38A 107.6 . . ?
Cl2 C38 H38B 107.6 . . ?
H38A C38 H38B 107.0 . . ?
F13 P1 F14 178.4(5) . . ?
F15 P1 F13 89.9(5) . . ?
F15 P1 F14 88.9(5) . . ?
F15 P1 F16 178.8(7) . . ?
F16 P1 F13 91.3(6) . . ?
F16 P1 F14 89.9(6) . . ?
F17 P1 F13 89.7(6) . . ?
F17 P1 F14 89.3(5) . . ?
F17 P1 F15 89.3(4) . . ?
F17 P1 F16 90.6(5) . . ?
F17 P1 F18 178.2(6) . . ?
F18 P1 F13 91.2(6) . . ?
F18 P1 F14 89.8(6) . . ?
F18 P1 F15 89.1(4) . . ?
F18 P1 F16 91.0(6) . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
C7S C6S H6S 120.0 . . ?
C7S C6S C5S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C6S C7S H7S 120.0 . . ?
C3S C7S C6S 120.0 . . ?
C3S C7S H7S 120.0 . . ?
C7S C3S H3S 120.0 . . ?
C7S C3S C2S 120.0 . . ?
C2S C3S H3S 120.0 . . ?
C3S C2S C1S 130(2) . . ?
C4S C2S C1S 110(2) . . ?
C4S C2S C3S 120.0 . . ?
C2S C4S H4S 120.0 . . ?
C2S C4S C5S 120.0 . . ?
C5S C4S H4S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C4S C5S C6S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
H8SA C8S H8SB 109.5 . . ?
H8SA C8S H8SC 109.5 . . ?
H8SB C8S H8SC 109.5 . . ?
C9S C8S H8SA 109.5 . . ?
C9S C8S H8SB 109.5 . . ?
C9S C8S H8SC 109.5 . . ?
C14S C13S H13S 120.0 . . ?
C14S C13S C12S 120.0 . . ?
C12S C13S H13S 120.0 . . ?
C13S C14S H14S 120.0 . . ?
C9S C14S C13S 120.0 . . ?
C9S C14S H14S 120.0 . . ?
C14S C9S C8S 122.7(14) . . ?
C14S C9S C10S 120.0 . . ?
C10S C9S C8S 117.3(14) . . ?
C9S C10S H10S 120.0 . . ?
C11S C10S C9S 120.0 . . ?
C11S C10S H10S 120.0 . . ?
C10S C11S H11S 120.0 . . ?
C10S C11S C12S 120.0 . . ?
C12S C11S H11S 120.0 . . ?
C13S C12S H12S 120.0 . . ?
C11S C12S C13S 120.0 . . ?
C11S C12S H12S 120.0 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 C111 C112 Cu2 29.2(8) . . . . ?
Cu1 C111 C112 C113 -158.5(15) . . . . ?
Cu1 C121 C122 Cu5 25.7(9) . . . . ?
Cu1 C121 C122 C123 -165.9(18) . . . . ?
Cu1 C131 C132 Cu9 -20.8(10) . . . . ?
Cu1 C131 C132 C133 167.8(19) . . . . ?
Cu1 C141 C142 Cu8 -22.7(9) . . . . ?
Cu1 C141 C142 C143 166(2) . . . . ?
Cu2 O7 C6 O8 -4.3(15) . . . . ?
Cu2 O7 C6 C7 176.6(7) . . . . ?
Cu2 C111 C112 C113 172(2) . . . . ?
Cu2 C112 C113 C114 105.3(9) . . . . ?
Cu2 C112 C113 C115 -137.3(7) . . . . ?
Cu2 C112 C113 C116 -17.2(11) . . . . ?
Cu2 C141 C142 Cu8 -127.6(7) . . . . ?
Cu2 C141 C142 C143 61(3) . . . . ?
Cu3 O8 C6 O7 -5.0(14) . . . . ?
Cu3 O8 C6 C7 174.0(7) . . . . ?
Cu3 N8 C28 N7 -3.2(10) . . . . ?
Cu3 N8 C28 C29 178.7(8) . . . . ?
Cu3 N8 C32 C31 179.7(8) . . . . ?
Cu3 C141 C142 Cu8 122.4(9) . . . . ?
Cu3 C141 C142 C143 -49(3) . . . . ?
Cu4 O6 C4 O5 -8.1(17) . . . . ?
Cu4 O6 C4 C5 168.9(11) . . . . ?
Cu4 N5 C20 C21 178.9(7) . . . . ?
Cu4 N5 C24 N6 -2.6(10) . . . . ?
Cu4 N5 C24 C23 179.0(9) . . . . ?
Cu4 C131 C132 Cu9 121.3(8) . . . . ?
Cu4 C131 C132 C133 -50(3) . . . . ?
Cu5 O5 C4 O6 -2.1(18) . . . . ?
Cu5 O5 C4 C5 -179.2(11) . . . . ?
Cu5 C121 C122 C123 168(2) . . . . ?
Cu5 C122 C123 C124 -28.1(16) . . . . ?
Cu5 C122 C123 C125 -145.1(11) . . . . ?
Cu5 C122 C123 C126 101.3(13) . . . . ?
Cu5 C131 C132 Cu9 -130.0(7) . . . . ?
Cu5 C131 C132 C133 59(3) . . . . ?
Cu6 O2 C1 O1 -5.0(11) . . . . ?
Cu6 O2 C1 C016 177.8(5) . . . . ?
Cu6 N4 C15 N3 12.4(8) . . . . ?
Cu6 N4 C15 C16 -170.5(7) . . . . ?
Cu6 N4 C19 C18 171.8(6) . . . . ?
Cu6 C111 C112 Cu2 -124.4(9) . . . . ?
Cu6 C111 C112 C113 48(3) . . . . ?
Cu7 O3 C2 O4 2.7(12) . . . . ?
Cu7 O3 C2 C3 -174.6(6) . . . . ?
Cu7 N1 C8 C9 176.2(13) . . . . ?
Cu7 N1 C12 N2 2.5(11) . . . . ?
Cu7 N1 C12 C11 -176.4(10) . . . . ?
Cu7 C121 C122 Cu5 -122.6(10) . . . . ?
Cu7 C121 C122 C123 46(3) . . . . ?
Cu8 O4 C2 O3 7.2(13) . . . . ?
Cu8 O4 C2 C3 -175.4(6) . . . . ?
Cu8 C121 C122 Cu5 125.4(7) . . . . ?
Cu8 C121 C122 C123 -66(3) . . . . ?
Cu8 C141 C142 C143 -172(3) . . . . ?
Cu8 C142 C143 C144 -173.6(6) . . . . ?
Cu8 C142 C143 C145 -53.5(10) . . . . ?
Cu8 C142 C143 C146 66.3(10) . . . . ?
Cu9 O1 C1 O2 12.8(12) . . . . ?
Cu9 O1 C1 C016 -170.0(5) . . . . ?
Cu9 C111 C112 Cu2 124.9(6) . . . . ?
Cu9 C111 C112 C113 -63(2) . . . . ?
Cu9 C131 C132 C133 -171(3) . . . . ?
Cu9 C132 C133 C134 1.4(19) . . . . ?
Cu9 C132 C133 C135 -109.0(10) . . . . ?
Cu9 C132 C133 C136 151.0(11) . . . . ?
O1 C1 C016 F1 -85.9(8) . . . . ?
O1 C1 C016 F2 157.0(7) . . . . ?
O1 C1 C016 F3 35.6(10) . . . . ?
O2 C1 C016 F1 91.6(9) . . . . ?
O2 C1 C016 F2 -25.5(10) . . . . ?
O2 C1 C016 F3 -146.8(8) . . . . ?
O3 C2 C3 F10 -164.8(8) . . . . ?
O3 C2 C3 F11 75.5(10) . . . . ?
O3 C2 C3 F12 -42.0(12) . . . . ?
O4 C2 C3 F10 17.5(12) . . . . ?
O4 C2 C3 F11 -102.3(10) . . . . ?
O4 C2 C3 F12 140.2(9) . . . . ?
O5 C4 C5 F7 -49.7(19) . . . . ?
O5 C4 C5 F8 70(2) . . . . ?
O5 C4 C5 F9 -163.9(16) . . . . ?
O6 C4 C5 F7 132.8(14) . . . . ?
O6 C4 C5 F8 -107.6(18) . . . . ?
O6 C4 C5 F9 19(2) . . . . ?
O7 C6 C7 F4 -56.7(13) . . . . ?
O7 C6 C7 F5 60.8(11) . . . . ?
O7 C6 C7 F6 -179.0(10) . . . . ?
O8 C6 C7 F4 124.1(10) . . . . ?
O8 C6 C7 F5 -118.3(10) . . . . ?
O8 C6 C7 F6 1.9(14) . . . . ?
N1 C8 C9 C10 1(3) . . . . ?
N2 C13 C14 N3 -0.3(10) . . . . ?
N3 C15 C16 C17 174.0(8) . . . . ?
N4 C15 C16 C17 -2.8(13) . . . . ?
N5 C20 C21 C22 0.5(15) . . . . ?
N6 C26 C27 N7 0.6(15) . . . . ?
N7 C28 C29 C30 -176.9(10) . . . . ?
N8 C28 C29 C30 1.1(17) . . . . ?
C00Z N2 C12 N1 -22.8(13) . . . . ?
C00Z N2 C12 C11 156.1(11) . . . . ?
C00Z N2 C13 C14 0.0(10) . . . . ?
C00Z N3 C14 C13 0.5(10) . . . . ?
C00Z N3 C15 N4 -22.9(11) . . . . ?
C00Z N3 C15 C16 159.9(8) . . . . ?
C8 N1 C12 N2 180.0(11) . . . . ?
C8 N1 C12 C11 1.1(18) . . . . ?
C8 C9 C10 C11 -2(3) . . . . ?
C9 C10 C11 C12 2(3) . . . . ?
C10 C11 C12 N1 -2(2) . . . . ?
C10 C11 C12 N2 179.3(13) . . . . ?
C12 N1 C8 C9 -1(2) . . . . ?
C12 N2 C00Z Cu6 -53.1(12) . . . . ?
C12 N2 C00Z Cu7 28.9(10) . . . . ?
C12 N2 C00Z N3 170.5(8) . . . . ?
C12 N2 C13 C14 -169.9(9) . . . . ?
C13 N2 C00Z Cu6 136.7(8) . . . . ?
C13 N2 C00Z Cu7 -141.3(6) . . . . ?
C13 N2 C00Z N3 0.3(9) . . . . ?
C13 N2 C12 N1 146.1(9) . . . . ?
C13 N2 C12 C11 -35.0(16) . . . . ?
C14 N3 C00Z Cu6 -150.8(6) . . . . ?
C14 N3 C00Z Cu7 124.2(8) . . . . ?
C14 N3 C00Z N2 -0.5(9) . . . . ?
C14 N3 C15 N4 146.5(8) . . . . ?
C14 N3 C15 C16 -30.7(13) . . . . ?
C15 N3 C00Z Cu6 20.0(9) . . . . ?
C15 N3 C00Z Cu7 -65.1(10) . . . . ?
C15 N3 C00Z N2 170.3(7) . . . . ?
C15 N3 C14 C13 -169.9(8) . . . . ?
C15 N4 C19 C18 1.6(12) . . . . ?
C15 C16 C17 C18 0.9(13) . . . . ?
C16 C17 C18 C19 2.0(14) . . . . ?
C17 C18 C19 N4 -3.4(13) . . . . ?
C19 N4 C15 N3 -175.5(7) . . . . ?
C19 N4 C15 C16 1.6(12) . . . . ?
C20 N5 C24 N6 176.9(8) . . . . ?
C20 N5 C24 C23 -1.5(14) . . . . ?
C20 C21 C22 C23 1.4(16) . . . . ?
C21 C22 C23 C24 -3.1(17) . . . . ?
C22 C23 C24 N5 3.2(17) . . . . ?
C22 C23 C24 N6 -175.0(10) . . . . ?
C24 N5 C20 C21 -0.5(13) . . . . ?
C24 N6 C25 Cu3 57.5(14) . . . . ?
C24 N6 C25 Cu4 -24.3(11) . . . . ?
C24 N6 C25 N7 -170.6(9) . . . . ?
C24 N6 C26 C27 170.2(11) . . . . ?
C25 N6 C24 N5 19.4(14) . . . . ?
C25 N6 C24 C23 -162.2(10) . . . . ?
C25 N6 C26 C27 -0.6(15) . . . . ?
C25 N7 C27 C26 -0.5(14) . . . . ?
C25 N7 C28 N8 20.7(13) . . . . ?
C25 N7 C28 C29 -161.2(10) . . . . ?
C26 N6 C24 N5 -150.5(11) . . . . ?
C26 N6 C24 C23 27.9(17) . . . . ?
C26 N6 C25 Cu3 -131.5(10) . . . . ?
C26 N6 C25 Cu4 146.6(9) . . . . ?
C26 N6 C25 N7 0.3(12) . . . . ?
C27 N7 C25 Cu3 147.7(8) . . . . ?
C27 N7 C25 Cu4 -130.3(10) . . . . ?
C27 N7 C25 N6 0.1(11) . . . . ?
C27 N7 C28 N8 -151.6(10) . . . . ?
C27 N7 C28 C29 26.6(16) . . . . ?
C28 N7 C25 Cu3 -25.6(11) . . . . ?
C28 N7 C25 Cu4 56.4(14) . . . . ?
C28 N7 C25 N6 -173.3(9) . . . . ?
C28 N7 C27 C26 172.6(11) . . . . ?
C28 N8 C32 C31 -3.1(15) . . . . ?
C28 C29 C30 C31 -1.1(18) . . . . ?
C29 C30 C31 C32 -0.8(19) . . . . ?
C30 C31 C32 N8 3.0(18) . . . . ?
C32 N8 C28 N7 179.1(8) . . . . ?
C32 N8 C28 C29 0.9(14) . . . . ?
C111 C112 C113 C114 -65(2) . . . . ?
C111 C112 C113 C115 52(2) . . . . ?
C111 C112 C113 C116 172.4(19) . . . . ?
C121 C122 C123 C124 166(2) . . . . ?
C121 C122 C123 C125 49(3) . . . . ?
C121 C122 C123 C126 -64(3) . . . . ?
C131 C132 C133 C134 171(2) . . . . ?
C131 C132 C133 C135 60(3) . . . . ?
C131 C132 C133 C136 -40(3) . . . . ?
C141 C142 C143 C144 -3(3) . . . . ?
C141 C142 C143 C145 117(3) . . . . ?
C141 C142 C143 C146 -123(3) . . . . ?
C1S C2S C4S C5S -178(3) . . . . ?
C6S C7S C3S C2S 0.0 . . . . ?
C7S C6S C5S C4S 0.0 . . . . ?
C7S C3S C2S C1S 178(3) . . . . ?
C7S C3S C2S C4S 0.0 . . . . ?
C3S C2S C4S C5S 0.0 . . . . ?
C2S C4S C5S C6S 0.0 . . . . ?
C5S C6S C7S C3S 0.0 . . . . ?
C8S C9S C10S C11S 179.3(18) . . . . ?
C13S C14S C9S C8S -179.3(19) . . . . ?
C13S C14S C9S C10S 0.0 . . . . ?
C14S C13S C12S C11S 0.0 . . . . ?
C14S C9S C10S C11S 0.0 . . . . ?
C9S C10S C11S C12S 0.0 . . . . ?
C10S C11S C12S C13S 0.0 . . . . ?
C12S C13S C14S C9S 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.481
_oxdiff_exptl_absorpt_empirical_full_min 0.269
_exptl_crystal_preparation       Luminescent
