#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:30:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179249 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/69/4316976.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4316976
loop_
_publ_author_name
'Sharew Adugna'
'Kseniya Revunova'
'Brandon Djukic'
'Serge I. Gorelsky'
'Hilary A. Jenkins'
'Martin T. Lemaire'
_publ_section_title
;
 Persistent Metal Bis(Hexafluoroacetylacetonato) Complexes Featuring a
 2,2'-Bipyridine Substituted Triarylamminium Radical Cation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10183
_journal_page_last               10190
_journal_paper_doi               10.1021/ic101471u
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C34 H23 Cu F12 N3 O6'
_chemical_formula_sum            'C34 H23 Cu F12 N3 O6'
_chemical_formula_weight         861.09
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.555(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2632(16)
_cell_length_b                   30.851(5)
_cell_length_c                   11.4269(18)
_cell_measurement_reflns_used    3872
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.80
_cell_measurement_theta_min      2.15
_cell_volume                     3502.0(10)
_computing_cell_refinement       'Bruker APEX 2'
_computing_data_collection       'Bruker APEX 2'
_computing_data_reduction        'Bruker APEX 2'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0830
_diffrn_reflns_av_sigmaI/netI    0.0819
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            42083
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.738
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.8022
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.266
_exptl_crystal_size_mid          0.135
_exptl_crystal_size_min          0.095
_refine_diff_density_max         2.439
_refine_diff_density_min         -0.747
_refine_diff_density_rms         0.134
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_coef       0.0038(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.422
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     964
_refine_ls_number_reflns         10497
_refine_ls_number_restraints     74
_refine_ls_restrained_S_all      1.420
_refine_ls_R_factor_all          0.1131
_refine_ls_R_factor_gt           0.0848
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0929P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2111
_refine_ls_wR_factor_ref         0.2239
_reflns_number_gt                7822
_reflns_number_total             10497
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101471u_si_002.cif
_cod_data_source_block           p2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4316976
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.14654(10) 0.90366(3) 0.53363(9) 0.0210(3) Uani 1 1 d . . .
Cu2 Cu 0.52062(11) 0.40369(3) 0.64111(10) 0.0251(3) Uani 1 1 d . . .
O1 O 0.2917(6) 0.86877(19) 0.4925(6) 0.0271(15) Uani 1 1 d . A .
O2 O 0.0549(7) 0.89384(19) 0.3222(6) 0.0255(15) Uani 1 1 d U . .
O3 O 0.0255(6) 0.8543(2) 0.5399(6) 0.0269(15) Uani 1 1 d . . .
O4 O 0.2480(7) 0.8826(2) 0.7277(6) 0.0313(16) Uani 1 1 d . A .
O5 O 0.3972(7) 0.35561(19) 0.6521(6) 0.0275(15) Uani 1 1 d . . .
O6 O 0.6705(7) 0.36713(19) 0.6119(6) 0.0286(16) Uani 1 1 d . B .
O7 O 0.6120(7) 0.3845(2) 0.8376(6) 0.0315(17) Uani 1 1 d . B .
O8 O 0.4376(7) 0.3896(2) 0.4313(6) 0.0277(15) Uani 1 1 d . C .
O10 O 0.7173(6) 0.8469(2) 0.2622(7) 0.0341(17) Uani 1 1 d . D .
O11 O 1.1063(8) 0.3443(2) 0.3729(7) 0.047(2) Uani 1 1 d . E .
N1 N 0.0339(7) 0.9452(2) 0.6016(7) 0.0212(17) Uani 1 1 d . . .
N2 N 0.2263(7) 0.9595(2) 0.4943(7) 0.0185(16) Uani 1 1 d . D .
N3 N 0.4776(7) 1.0020(2) 0.3456(7) 0.0230(17) Uani 1 1 d U . .
N5 N 0.4103(8) 0.4474(2) 0.7044(7) 0.0234(18) Uani 1 1 d . . .
N4 N 0.6057(8) 0.4576(2) 0.6007(7) 0.0253(18) Uani 1 1 d . E .
N6 N 0.8582(8) 0.4994(2) 0.4544(7) 0.0279(18) Uani 1 1 d . . .
C28 C 0.3098(12) 0.8233(3) 0.8655(10) 0.039(3) Uani 0.746(9) 1 d P A 1
F1 F 0.3159(10) 0.8522(3) 0.9513(10) 0.046(3) Uiso 0.746(9) 1 d P A 1
F2 F 0.4200(9) 0.7975(3) 0.9026(8) 0.048(2) Uiso 0.746(9) 1 d P A 1
F3 F 0.2005(10) 0.7989(3) 0.8630(8) 0.050(2) Uiso 0.746(9) 1 d P A 1
C28A C 0.3098(12) 0.8233(3) 0.8655(10) 0.039(3) Uani 0.254(9) 1 d P A 2
F1A F 0.152(3) 0.8328(8) 0.888(2) 0.046(3) Uiso 0.254(9) 1 d P A 2
F2A F 0.364(4) 0.8515(10) 0.963(3) 0.048(2) Uiso 0.254(9) 1 d P A 2
F3A F 0.273(3) 0.7836(9) 0.864(3) 0.050(2) Uiso 0.254(9) 1 d P A 2
F4 F 0.5255(6) 0.8260(2) 0.4576(7) 0.0539(18) Uani 1 1 d . . .
F5 F 0.3398(7) 0.8032(2) 0.3511(6) 0.0513(18) Uani 1 1 d . . .
F6 F 0.4422(9) 0.7664(2) 0.5049(7) 0.075(3) Uani 1 1 d . . .
C33 C -0.0478(11) 0.7833(3) 0.5268(11) 0.042(3) Uani 1 1 d . . .
F7 F -0.0568(8) 0.74721(18) 0.4610(6) 0.0554(19) Uani 1 1 d . . .
F8 F -0.1739(8) 0.7913(2) 0.5351(8) 0.072(3) Uani 1 1 d . . .
F9 F 0.0186(10) 0.7740(2) 0.6356(7) 0.080(3) Uani 1 1 d . . .
F10 F -0.0410(9) 0.8692(3) 0.0811(7) 0.074(3) Uani 1 1 d . . .
F11 F 0.0583(9) 0.80753(19) 0.1251(7) 0.067(2) Uani 1 1 d . . .
F12 F 0.1727(10) 0.8665(3) 0.1451(7) 0.077(3) Uani 1 1 d . . .
C128 C 0.6526(11) 0.3294(3) 0.9847(10) 0.032(2) Uani 0.56(3) 1 d P B 1
F13 F 0.753(2) 0.3482(5) 1.0662(13) 0.059(5) Uiso 0.56(3) 1 d P B 1
F14 F 0.6662(16) 0.2862(4) 0.9931(13) 0.037(4) Uiso 0.56(3) 1 d P B 1
F15 F 0.5370(18) 0.3378(6) 1.0110(16) 0.057(5) Uiso 0.56(3) 1 d P B 1
C28' C 0.6526(11) 0.3294(3) 0.9847(10) 0.032(2) Uani 0.44(3) 1 d P B 2
F13' F 0.695(2) 0.3596(6) 1.0739(14) 0.041(6) Uiso 0.44(3) 1 d P B 2
F14' F 0.713(3) 0.2944(7) 1.022(2) 0.058(6) Uiso 0.44(3) 1 d P B 2
F15' F 0.514(2) 0.3248(8) 0.9907(19) 0.052(6) Uiso 0.44(3) 1 d P B 2
F16 F 0.8728(7) 0.27404(19) 0.6700(6) 0.0484(17) Uani 1 1 d . . .
F17 F 0.8988(7) 0.3315(2) 0.5706(8) 0.064(2) Uani 1 1 d . . .
F18 F 0.7301(8) 0.2899(2) 0.5061(7) 0.065(2) Uani 1 1 d . . .
F19 F 0.4037(8) 0.2791(2) 0.7649(6) 0.0520(18) Uani 1 1 d . . .
F20 F 0.3426(8) 0.24497(18) 0.5960(6) 0.057(2) Uani 1 1 d . . .
F21 F 0.2044(6) 0.2879(2) 0.6504(7) 0.0531(18) Uani 1 1 d . . .
C134 C 0.4537(13) 0.3403(4) 0.2781(12) 0.048(3) Uani 0.405(15) 1 d P C 1
F22 F 0.565(2) 0.3611(8) 0.2653(19) 0.064(3) Uiso 0.405(15) 1 d P C 1
F23 F 0.4590(17) 0.3018(4) 0.2508(13) 0.028(4) Uiso 0.405(15) 1 d P C 1
F24 F 0.356(2) 0.3658(6) 0.1949(16) 0.046(2) Uiso 0.405(15) 1 d P C 1
C34' C 0.4537(13) 0.3403(4) 0.2781(12) 0.048(3) Uani 0.595(15) 1 d P C 2
F22' F 0.5849(14) 0.3371(5) 0.2870(13) 0.064(3) Uiso 0.595(15) 1 d P C 2
F23' F 0.3928(14) 0.3023(3) 0.2330(10) 0.042(3) Uiso 0.595(15) 1 d P C 2
F24' F 0.4125(15) 0.3699(4) 0.1962(11) 0.046(2) Uiso 0.595(15) 1 d P C 2
C1 C -0.0493(8) 0.9345(3) 0.6690(9) 0.025(2) Uani 1 1 d . . .
H1A H -0.0684 0.9048 0.6785 0.030 Uiso 1 1 calc R . .
C2 C -0.1088(9) 0.9655(3) 0.7257(9) 0.028(2) Uani 1 1 d . . .
H2A H -0.1705 0.9574 0.7714 0.033 Uiso 1 1 calc R . .
C3 C -0.0763(9) 1.0096(3) 0.7145(9) 0.027(2) Uani 1 1 d . . .
H3A H -0.1133 1.0317 0.7542 0.032 Uiso 1 1 calc R . .
C4 C 0.0110(11) 1.0195(3) 0.6440(11) 0.037(2) Uani 1 1 d U . .
H4A H 0.0352 1.0489 0.6360 0.044 Uiso 1 1 calc R . .
C5 C 0.0629(8) 0.9878(3) 0.5856(8) 0.0178(18) Uani 1 1 d . . .
C6 C 0.1642(8) 0.9953(3) 0.5153(8) 0.0189(19) Uani 1 1 d . . .
C7 C 0.1949(9) 1.0352(3) 0.4748(8) 0.026(2) Uani 1 1 d . D .
H7A H 0.1471 1.0604 0.4880 0.031 Uiso 1 1 calc R . .
C8 C 0.2961(9) 1.0383(3) 0.4144(8) 0.0209(19) Uani 1 1 d . . .
H8A H 0.3163 1.0655 0.3842 0.025 Uiso 1 1 calc R D .
C9 C 0.3684(9) 1.0014(3) 0.3982(8) 0.0185(18) Uani 1 1 d . D .
C10 C 0.3241(9) 0.9601(3) 0.4360(8) 0.0222(19) Uani 1 1 d . . .
H10A H 0.3644 0.9338 0.4195 0.027 Uiso 1 1 calc R D .
C11 C 0.5403(8) 0.9625(3) 0.3225(8) 0.0189(18) Uani 1 1 d U D .
C12 C 0.6718(9) 0.9525(3) 0.3822(8) 0.0237(19) Uani 1 1 d . . .
H12A H 0.7239 0.9722 0.4389 0.028 Uiso 1 1 calc R D .
C13 C 0.7258(8) 0.9140(3) 0.3590(9) 0.022(2) Uani 1 1 d . D .
H13A H 0.8164 0.9079 0.4004 0.027 Uiso 1 1 calc R . .
C14 C 0.6571(10) 0.8838(3) 0.2794(10) 0.033(2) Uani 1 1 d . . .
C15 C 0.5218(10) 0.8935(3) 0.2148(10) 0.034(2) Uani 1 1 d . D .
H15A H 0.4702 0.8733 0.1592 0.041 Uiso 1 1 calc R . .
C16 C 0.4673(9) 0.9334(3) 0.2355(9) 0.026(2) Uani 1 1 d . . .
H16A H 0.3794 0.9410 0.1901 0.031 Uiso 1 1 calc R D .
C17 C 0.6408(12) 0.8134(3) 0.1933(11) 0.047(3) Uani 1 1 d U . .
H17A H 0.6996 0.7887 0.1891 0.071 Uiso 1 1 calc R D .
H17B H 0.5998 0.8239 0.1115 0.071 Uiso 1 1 calc R . .
H17C H 0.5699 0.8042 0.2316 0.071 Uiso 1 1 calc R . .
C18 C 0.5378(12) 1.0419(3) 0.3228(10) 0.019(2) Uiso 0.797(8) 1 d P D 1
C19 C 0.5926(13) 1.0703(4) 0.4143(13) 0.033(3) Uiso 0.797(8) 1 d P D 1
H19A H 0.5947 1.0632 0.4956 0.039 Uiso 0.797(8) 1 calc PR D 1
C20 C 0.6459(12) 1.1101(4) 0.3865(12) 0.029(3) Uiso 0.797(8) 1 d P D 1
H20A H 0.6817 1.1303 0.4491 0.035 Uiso 0.797(8) 1 calc PR D 1
C21 C 0.6459(13) 1.1197(4) 0.2667(12) 0.029(3) Uiso 0.797(8) 1 d P D 1
C22 C 0.5927(12) 1.0902(4) 0.1772(11) 0.026(3) Uiso 0.797(8) 1 d P D 1
H22A H 0.5921 1.0969 0.0959 0.031 Uiso 0.797(8) 1 calc PR D 1
C23 C 0.5399(11) 1.0510(4) 0.2024(11) 0.021(2) Uiso 0.797(8) 1 d P D 1
H23A H 0.5057 1.0307 0.1399 0.026 Uiso 0.797(8) 1 calc PR D 1
O9 O 0.7000(9) 1.1576(3) 0.2306(9) 0.039(2) Uiso 0.797(8) 1 d P D 1
C24 C 0.7456(18) 1.1878(6) 0.3043(15) 0.047(4) Uiso 0.797(8) 1 d P D 1
H24A H 0.7798 1.2112 0.2623 0.071 Uiso 0.797(8) 1 calc PR D 1
H24B H 0.8188 1.1766 0.3697 0.071 Uiso 0.797(8) 1 calc PR D 1
H24C H 0.6735 1.1989 0.3382 0.071 Uiso 0.797(8) 1 calc PR D 1
C18A C 0.559(3) 1.0440(8) 0.362(3) 0.019(2) Uiso 0.203(8) 1 d PG D 2
C19A C 0.626(3) 1.0631(9) 0.471(2) 0.033(3) Uiso 0.203(8) 1 d PG D 2
H19B H 0.6261 1.0493 0.5454 0.039 Uiso 0.203(8) 1 calc PR D 2
C20A C 0.692(3) 1.1024(9) 0.471(2) 0.029(3) Uiso 0.203(8) 1 d PG D 2
H20C H 0.7376 1.1155 0.5450 0.035 Uiso 0.203(8) 1 calc PR D 2
C21A C 0.691(3) 1.1226(8) 0.362(3) 0.026(3) Uiso 0.203(8) 1 d PG D 2
C22A C 0.624(3) 1.1035(10) 0.253(2) 0.029(3) Uiso 0.203(8) 1 d PG D 2
H22C H 0.6238 1.1173 0.1787 0.035 Uiso 0.203(8) 1 calc PR D 2
C23A C 0.558(3) 1.0642(10) 0.253(2) 0.026(11) Uiso 0.203(8) 1 d PG D 2
H23C H 0.5123 1.0511 0.1791 0.032 Uiso 0.203(8) 1 calc PR D 2
O9A O 0.764(4) 1.1609(11) 0.398(3) 0.039(2) Uiso 0.203(8) 1 d P D 2
C24A C 0.765(7) 1.192(2) 0.346(7) 0.047(4) Uiso 0.203(8) 1 d P D 2
H24G H 0.8250 1.2132 0.3981 0.071 Uiso 0.203(8) 1 calc PR D 2
H24H H 0.6739 1.2042 0.3219 0.071 Uiso 0.203(8) 1 calc PR D 2
H24I H 0.7978 1.1866 0.2741 0.071 Uiso 0.203(8) 1 calc PR D 2
C25 C 0.2926(10) 0.8452(3) 0.7406(9) 0.033(2) Uani 1 1 d . . .
C26 C 0.3416(9) 0.8184(3) 0.6593(9) 0.027(2) Uani 1 1 d U A .
H26A H 0.3752 0.7903 0.6838 0.032 Uiso 1 1 calc R . .
C27 C 0.3404(9) 0.8334(3) 0.5440(9) 0.026(2) Uani 1 1 d . . .
C29 C 0.4108(12) 0.8066(4) 0.4666(11) 0.042(3) Uani 1 1 d . A .
C30 C 0.0048(9) 0.8228(3) 0.4708(9) 0.026(2) Uani 1 1 d . . .
C31 C 0.0218(9) 0.8186(3) 0.3546(8) 0.024(2) Uani 1 1 d . . .
H31A H 0.0176 0.7906 0.3192 0.028 Uiso 1 1 calc R . .
C32 C 0.0451(9) 0.8546(3) 0.2880(8) 0.024(2) Uani 1 1 d . . .
C34 C 0.0588(11) 0.8483(3) 0.1602(9) 0.031(2) Uani 1 1 d . . .
C101 C 0.3238(9) 0.4378(3) 0.7744(9) 0.025(2) Uani 1 1 d U . .
H10B H 0.3027 0.4083 0.7843 0.030 Uiso 1 1 calc R . .
C102 C 0.2654(11) 0.4696(3) 0.8317(9) 0.033(2) Uani 1 1 d . . .
H10C H 0.2020 0.4623 0.8764 0.040 Uiso 1 1 calc R . .
C103 C 0.3029(10) 0.5111(3) 0.8210(10) 0.034(3) Uani 1 1 d . . .
H10D H 0.2681 0.5332 0.8626 0.041 Uiso 1 1 calc R . .
C104 C 0.3913(10) 0.5226(3) 0.7509(9) 0.025(2) Uani 1 1 d U . .
H10E H 0.4156 0.5520 0.7426 0.030 Uiso 1 1 calc R . .
C105 C 0.4430(9) 0.4881(3) 0.6924(8) 0.023(2) Uani 1 1 d . . .
C106 C 0.5436(9) 0.4944(2) 0.6240(8) 0.0198(19) Uani 1 1 d U . .
C107 C 0.5809(9) 0.5345(3) 0.5787(9) 0.029(2) Uani 1 1 d . E .
H10F H 0.5343 0.5604 0.5883 0.034 Uiso 1 1 calc R . .
C108 C 0.6809(11) 0.5360(3) 0.5230(9) 0.034(3) Uani 1 1 d . . .
H10G H 0.7050 0.5630 0.4943 0.041 Uiso 1 1 calc R E .
C109 C 0.7515(10) 0.4980(3) 0.5059(8) 0.026(2) Uani 1 1 d . E .
C110 C 0.7022(10) 0.4602(3) 0.5429(9) 0.028(2) Uani 1 1 d . . .
H11A H 0.7408 0.4337 0.5253 0.034 Uiso 1 1 calc R E .
C111 C 0.9223(10) 0.4596(3) 0.4288(9) 0.029(2) Uani 1 1 d . E .
C112 C 1.0532(10) 0.4499(3) 0.4901(9) 0.031(2) Uani 1 1 d . . .
H11B H 1.1022 0.4700 0.5475 0.037 Uiso 1 1 calc R E .
C113 C 1.1160(12) 0.4107(3) 0.4695(10) 0.041(3) Uani 1 1 d . E .
H11C H 1.2063 0.4040 0.5105 0.050 Uiso 1 1 calc R . .
C115 C 0.9065(11) 0.3931(3) 0.3240(10) 0.038(3) Uani 1 1 d . E .
H11E H 0.8548 0.3740 0.2650 0.046 Uiso 1 1 calc R . .
C114 C 1.0345(11) 0.3817(3) 0.3829(10) 0.032(2) Uani 1 1 d . . .
C186 C 0.8512(11) 0.4310(4) 0.3473(9) 0.039(3) Uani 1 1 d . . .
H18A H 0.7611 0.4377 0.3058 0.046 Uiso 1 1 calc R E .
C117 C 1.0272(13) 0.3106(4) 0.2959(11) 0.048(3) Uani 1 1 d U . .
H11F H 1.0849 0.2856 0.2920 0.072 Uiso 1 1 calc R E .
H11G H 0.9907 0.3222 0.2144 0.072 Uiso 1 1 calc R . .
H11H H 0.9529 0.3015 0.3300 0.072 Uiso 1 1 calc R . .
C118 C 0.933(3) 0.5412(11) 0.464(3) 0.031(3) Uiso 0.454(14) 1 d P E 1
C119 C 1.005(2) 0.5565(7) 0.575(2) 0.026(5) Uiso 0.454(14) 1 d P E 1
H11I H 1.0094 0.5394 0.6445 0.031 Uiso 0.454(14) 1 calc PR E 1
C120 C 1.071(2) 0.5953(6) 0.587(2) 0.029(5) Uiso 0.454(14) 1 d P E 1
H12B H 1.1116 0.6070 0.6648 0.035 Uiso 0.454(14) 1 calc PR E 1
C121 C 1.077(2) 0.6176(8) 0.480(2) 0.027(5) Uiso 0.454(14) 1 d P E 1
C122 C 1.001(2) 0.6061(8) 0.368(2) 0.024(3) Uiso 0.454(14) 1 d P E 1
H12C H 0.9926 0.6241 0.2988 0.029 Uiso 0.454(14) 1 calc PR E 1
C123 C 0.936(2) 0.5649(7) 0.362(2) 0.029(5) Uiso 0.454(14) 1 d P E 1
H12D H 0.8929 0.5533 0.2852 0.034 Uiso 0.454(14) 1 calc PR E 1
O12 O 1.1547(16) 0.6567(5) 0.5041(14) 0.037(4) Uiso 0.454(14) 1 d P E 1
C124 C 1.178(3) 0.6780(11) 0.435(3) 0.039(4) Uiso 0.454(14) 1 d P E 1
H12E H 1.2336 0.7023 0.4752 0.059 Uiso 0.454(14) 1 calc PR E 1
H12F H 1.0944 0.6892 0.3828 0.059 Uiso 0.454(14) 1 calc PR E 1
H12G H 1.2276 0.6617 0.3869 0.059 Uiso 0.454(14) 1 calc PR E 1
C18' C 0.927(3) 0.5378(9) 0.436(2) 0.031(3) Uiso 0.546(14) 1 d P E 2
C19' C 0.984(2) 0.5640(7) 0.521(2) 0.033(5) Uiso 0.546(14) 1 d P E 2
H19C H 0.9830 0.5578 0.6025 0.040 Uiso 0.546(14) 1 calc PR E 2
C20' C 1.050(2) 0.6018(8) 0.496(2) 0.042(5) Uiso 0.546(14) 1 d P E 2
H20B H 1.1013 0.6194 0.5587 0.050 Uiso 0.546(14) 1 calc PR E 2
C21' C 1.039(2) 0.6115(7) 0.385(2) 0.024(3) Uiso 0.546(14) 1 d P E 2
C22' C 0.970(2) 0.5872(7) 0.282(2) 0.045(6) Uiso 0.546(14) 1 d P E 2
H22B H 0.9638 0.5957 0.2010 0.054 Uiso 0.546(14) 1 calc PR E 2
C23' C 0.912(2) 0.5481(7) 0.315(2) 0.037(5) Uiso 0.546(14) 1 d P E 2
H23B H 0.8628 0.5292 0.2541 0.044 Uiso 0.546(14) 1 calc PR E 2
O12' O 1.0892(15) 0.6507(5) 0.3422(13) 0.049(4) Uiso 0.546(14) 1 d P E 2
C24' C 1.168(3) 0.6812(8) 0.399(2) 0.039(4) Uiso 0.546(14) 1 d P E 2
H24D H 1.1791 0.7034 0.3409 0.059 Uiso 0.546(14) 1 calc PR E 2
H24E H 1.2557 0.6689 0.4388 0.059 Uiso 0.546(14) 1 calc PR E 2
H24F H 1.1275 0.6944 0.4597 0.059 Uiso 0.546(14) 1 calc PR E 2
C125 C 0.6601(10) 0.3477(3) 0.8583(9) 0.029(2) Uani 1 1 d . . .
C126 C 0.7179(10) 0.3221(3) 0.7871(9) 0.029(2) Uani 1 1 d U B .
H12H H 0.7531 0.2946 0.8172 0.035 Uiso 1 1 calc R . .
C127 C 0.7270(9) 0.3346(2) 0.6729(9) 0.024(2) Uani 1 1 d . . .
C129 C 0.8084(10) 0.3070(3) 0.6049(11) 0.034(2) Uani 1 1 d . B .
C130 C 0.3828(10) 0.3209(3) 0.5839(9) 0.026(2) Uani 1 1 d . . .
C131 C 0.4090(10) 0.3158(3) 0.4765(9) 0.029(2) Uani 1 1 d . C .
H13B H 0.4141 0.2873 0.4465 0.035 Uiso 1 1 calc R . .
C132 C 0.4296(11) 0.3517(3) 0.4051(10) 0.036(2) Uani 1 1 d . . .
C133 C 0.3350(10) 0.2828(3) 0.6466(9) 0.031(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O3 Cu1 O1 96.1(3) . . ?
O3 Cu1 N2 164.7(3) . . ?
O1 Cu1 N2 92.3(3) . . ?
O3 Cu1 N1 92.8(3) . . ?
O1 Cu1 N1 167.3(3) . . ?
N2 Cu1 N1 81.1(3) . . ?
O3 Cu1 O4 83.3(3) . . ?
O1 Cu1 O4 83.7(3) . . ?
N2 Cu1 O4 110.4(3) . . ?
N1 Cu1 O4 88.5(3) . . ?
O3 Cu1 O2 81.2(2) . . ?
O1 Cu1 O2 79.6(3) . . ?
N2 Cu1 O2 87.8(3) . . ?
N1 Cu1 O2 110.8(3) . . ?
O4 Cu1 O2 155.8(2) . . ?
O5 Cu2 N4 166.0(3) . . ?
O5 Cu2 O6 96.9(3) . . ?
N4 Cu2 O6 91.8(3) . . ?
O5 Cu2 N5 93.1(3) . . ?
N4 Cu2 N5 80.9(3) . . ?
O6 Cu2 N5 164.7(3) . . ?
O5 Cu2 O7 81.6(3) . . ?
N4 Cu2 O7 110.5(3) . . ?
O6 Cu2 O7 82.8(3) . . ?
N5 Cu2 O7 87.1(3) . . ?
O5 Cu2 O8 81.6(3) . . ?
N4 Cu2 O8 89.2(3) . . ?
O6 Cu2 O8 79.9(3) . . ?
N5 Cu2 O8 113.2(3) . . ?
O7 Cu2 O8 154.1(2) . . ?
C27 O1 Cu1 125.6(6) . . ?
C32 O2 Cu1 114.5(6) . . ?
C30 O3 Cu1 126.3(6) . . ?
C25 O4 Cu1 116.4(6) . . ?
C130 O5 Cu2 123.7(6) . . ?
C127 O6 Cu2 127.9(6) . . ?
C125 O7 Cu2 118.2(6) . . ?
C132 O8 Cu2 114.5(7) . . ?
C14 O10 C17 119.6(8) . . ?
C114 O11 C117 114.3(9) . . ?
C1 N1 C5 120.5(8) . . ?
C1 N1 Cu1 125.7(6) . . ?
C5 N1 Cu1 113.3(5) . . ?
C6 N2 C10 122.3(7) . . ?
C6 N2 Cu1 115.6(5) . . ?
C10 N2 Cu1 121.6(6) . . ?
C9 N3 C18 121.2(7) . . ?
C9 N3 C11 120.9(6) . . ?
C18 N3 C11 117.7(7) . . ?
C9 N3 C18A 115.3(14) . . ?
C18 N3 C18A 17.2(12) . . ?
C11 N3 C18A 119.3(14) . . ?
C105 N5 C101 119.2(7) . . ?
C105 N5 Cu2 114.9(6) . . ?
C101 N5 Cu2 124.8(6) . . ?
C110 N4 C106 119.6(8) . . ?
C110 N4 Cu2 126.5(6) . . ?
C106 N4 Cu2 113.5(6) . . ?
C109 N6 C18' 124.6(12) . . ?
C109 N6 C111 120.6(8) . . ?
C18' N6 C111 114.2(12) . . ?
C109 N6 C118 116.6(13) . . ?
C18' N6 C118 12.5(18) . . ?
C111 N6 C118 119.7(14) . . ?
F1 C28 F3 106.1(11) . . ?
F1 C28 F2 106.5(10) . . ?
F3 C28 F2 107.7(9) . . ?
F1 C28 C25 111.3(9) . . ?
F3 C28 C25 108.9(9) . . ?
F2 C28 C25 115.9(10) . . ?
F9 C33 F7 107.5(10) . . ?
F9 C33 F8 104.9(11) . . ?
F7 C33 F8 105.2(8) . . ?
F9 C33 C30 115.0(8) . . ?
F7 C33 C30 114.1(9) . . ?
F8 C33 C30 109.2(9) . . ?
F15 C128 F13 109.7(12) . . ?
F15 C128 F14 105.2(12) . . ?
F13 C128 F14 109.5(11) . . ?
F15 C128 C125 113.2(10) . . ?
F13 C128 C125 106.1(10) . . ?
F14 C128 C125 113.3(9) . . ?
F23 C134 F22 109.7(15) . . ?
F23 C134 F24 115.5(14) . . ?
F22 C134 F24 98.1(14) . . ?
F23 C134 C132 118.4(11) . . ?
F22 C134 C132 109.2(12) . . ?
F24 C134 C132 104.0(11) . . ?
N1 C1 C2 121.7(9) . . ?
N1 C1 H1A 119.1 . . ?
C2 C1 H1A 119.1 . . ?
C1 C2 C3 118.8(9) . . ?
C1 C2 H2A 120.6 . . ?
C3 C2 H2A 120.6 . . ?
C4 C3 C2 117.9(9) . . ?
C4 C3 H3A 121.0 . . ?
C2 C3 H3A 121.0 . . ?
C5 C4 C3 121.1(9) . . ?
C5 C4 H4A 119.4 . . ?
C3 C4 H4A 119.4 . . ?
C4 C5 N1 119.8(8) . . ?
C4 C5 C6 124.6(8) . . ?
N1 C5 C6 115.2(7) . . ?
N2 C6 C7 121.4(8) . . ?
N2 C6 C5 113.8(7) . . ?
C7 C6 C5 124.7(8) . . ?
C6 C7 C8 119.3(8) . . ?
C6 C7 H7A 120.4 . . ?
C8 C7 H7A 120.4 . . ?
C7 C8 C9 120.1(8) . . ?
C7 C8 H8A 120.0 . . ?
C9 C8 H8A 120.0 . . ?
C8 C9 N3 123.9(7) . . ?
C8 C9 C10 117.2(8) . . ?
N3 C9 C10 118.9(7) . . ?
N2 C10 C9 119.4(7) . . ?
N2 C10 H10A 120.3 . . ?
C9 C10 H10A 120.3 . . ?
C12 C11 C16 119.0(8) . . ?
C12 C11 N3 121.7(8) . . ?
C16 C11 N3 119.3(8) . . ?
C13 C12 C11 119.5(8) . . ?
C13 C12 H12A 120.3 . . ?
C11 C12 H12A 120.3 . . ?
C12 C13 C14 123.8(9) . . ?
C12 C13 H13A 118.1 . . ?
C14 C13 H13A 118.1 . . ?
O10 C14 C13 120.0(9) . . ?
O10 C14 C15 121.9(9) . . ?
C13 C14 C15 118.1(9) . . ?
C16 C15 C14 118.4(10) . . ?
C16 C15 H15A 120.8 . . ?
C14 C15 H15A 120.8 . . ?
C15 C16 C11 121.1(8) . . ?
C15 C16 H16A 119.4 . . ?
C11 C16 H16A 119.4 . . ?
O10 C17 H17A 109.5 . . ?
O10 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O10 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C23 120.9(10) . . ?
C19 C18 N3 121.6(10) . . ?
C23 C18 N3 117.6(9) . . ?
C18 C19 C20 119.5(12) . . ?
C18 C19 H19A 120.3 . . ?
C20 C19 H19A 120.3 . . ?
C21 C20 C19 119.9(12) . . ?
C21 C20 H20A 120.0 . . ?
C19 C20 H20A 120.0 . . ?
C22 C21 O9 116.5(11) . . ?
C22 C21 C20 119.3(12) . . ?
O9 C21 C20 124.3(12) . . ?
C21 C22 C23 121.7(12) . . ?
C21 C22 H22A 119.1 . . ?
C23 C22 H22A 119.1 . . ?
C22 C23 C18 118.7(11) . . ?
C22 C23 H23A 120.6 . . ?
C18 C23 H23A 120.6 . . ?
C24 O9 C21 121.7(12) . . ?
O9 C24 H24A 109.5 . . ?
O9 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O9 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C19A C18A C23A 120.0 . . ?
C19A C18A N3 127.1(19) . . ?
C23A C18A N3 112.9(19) . . ?
C18A C19A C20A 120.0 . . ?
C18A C19A H19B 120.0 . . ?
C20A C19A H19B 120.0 . . ?
C21A C20A C19A 120.0 . . ?
C21A C20A H20C 120.0 . . ?
C19A C20A H20C 120.0 . . ?
C20A C21A C22A 120.0 . . ?
C20A C21A O9A 103(2) . . ?
C22A C21A O9A 137(2) . . ?
C23A C22A C21A 120.0 . . ?
C23A C22A H22C 120.0 . . ?
C21A C22A H22C 120.0 . . ?
C22A C23A C18A 120.0 . . ?
C22A C23A H23C 120.0 . . ?
C18A C23A H23C 120.0 . . ?
C24A O9A C21A 130(5) . . ?
O9A C24A H24G 109.5 . . ?
O9A C24A H24H 109.5 . . ?
H24G C24A H24H 109.5 . . ?
O9A C24A H24I 109.5 . . ?
H24G C24A H24I 109.5 . . ?
H24H C24A H24I 109.5 . . ?
O4 C25 C26 130.1(10) . . ?
O4 C25 C28 118.1(9) . . ?
C26 C25 C28 111.7(9) . . ?
C27 C26 C25 120.1(8) . . ?
C27 C26 H26A 119.9 . . ?
C25 C26 H26A 119.9 . . ?
O1 C27 C26 128.9(9) . . ?
O1 C27 C29 112.6(9) . . ?
C26 C27 C29 118.5(8) . . ?
F6 C29 F5 106.1(9) . . ?
F6 C29 F4 107.2(9) . . ?
F5 C29 F4 103.3(9) . . ?
F6 C29 C27 115.3(9) . . ?
F5 C29 C27 113.3(8) . . ?
F4 C29 C27 110.8(9) . . ?
O3 C30 C31 129.8(8) . . ?
O3 C30 C33 112.3(8) . . ?
C31 C30 C33 117.9(9) . . ?
C30 C31 C32 121.8(8) . . ?
C30 C31 H31A 119.1 . . ?
C32 C31 H31A 119.1 . . ?
O2 C32 C31 126.9(9) . . ?
O2 C32 C34 113.6(8) . . ?
C31 C32 C34 119.5(8) . . ?
F11 C34 F12 107.1(9) . . ?
F11 C34 F10 107.9(8) . . ?
F12 C34 F10 104.7(9) . . ?
F11 C34 C32 114.8(8) . . ?
F12 C34 C32 111.4(8) . . ?
F10 C34 C32 110.3(8) . . ?
N5 C101 C102 122.7(8) . . ?
N5 C101 H10B 118.7 . . ?
C102 C101 H10B 118.7 . . ?
C103 C102 C101 117.2(9) . . ?
C103 C102 H10C 121.4 . . ?
C101 C102 H10C 121.4 . . ?
C102 C103 C104 122.2(9) . . ?
C102 C103 H10D 118.9 . . ?
C104 C103 H10D 118.9 . . ?
C103 C104 C105 116.7(8) . . ?
C103 C104 H10E 121.7 . . ?
C105 C104 H10E 121.7 . . ?
N5 C105 C104 121.9(8) . . ?
N5 C105 C106 114.6(8) . . ?
C104 C105 C106 123.3(8) . . ?
N4 C106 C107 118.0(8) . . ?
N4 C106 C105 115.1(7) . . ?
C107 C106 C105 126.8(7) . . ?
C108 C107 C106 120.5(9) . . ?
C108 C107 H10F 119.7 . . ?
C106 C107 H10F 119.7 . . ?
C107 C108 C109 121.2(9) . . ?
C107 C108 H10G 119.4 . . ?
C109 C108 H10G 119.4 . . ?
N6 C109 C110 123.6(9) . . ?
N6 C109 C108 121.7(8) . . ?
C110 C109 C108 114.7(9) . . ?
N4 C110 C109 125.5(9) . . ?
N4 C110 H11A 117.2 . . ?
C109 C110 H11A 117.2 . . ?
C186 C111 C112 119.6(9) . . ?
C186 C111 N6 119.6(9) . . ?
C112 C111 N6 120.7(8) . . ?
C111 C112 C113 121.7(10) . . ?
C111 C112 H11B 119.2 . . ?
C113 C112 H11B 119.2 . . ?
C112 C113 C114 115.8(10) . . ?
C112 C113 H11C 122.1 . . ?
C114 C113 H11C 122.1 . . ?
C186 C115 C114 121.7(9) . . ?
C186 C115 H11E 119.2 . . ?
C114 C115 H11E 119.2 . . ?
C115 C114 O11 129.8(9) . . ?
C115 C114 C113 120.0(9) . . ?
O11 C114 C113 110.2(10) . . ?
C111 C186 C115 121.1(10) . . ?
C111 C186 H18A 119.4 . . ?
C115 C186 H18A 119.4 . . ?
O11 C117 H11F 109.5 . . ?
O11 C117 H11G 109.5 . . ?
H11F C117 H11G 109.5 . . ?
O11 C117 H11H 109.5 . . ?
H11F C117 H11H 109.5 . . ?
H11G C117 H11H 109.5 . . ?
C119 C118 C123 118(3) . . ?
C119 C118 N6 121(2) . . ?
C123 C118 N6 121(2) . . ?
C120 C119 C118 122(3) . . ?
C120 C119 H11I 118.8 . . ?
C118 C119 H11I 118.8 . . ?
C119 C120 C121 117(2) . . ?
C119 C120 H12B 121.3 . . ?
C121 C120 H12B 121.3 . . ?
C122 C121 C120 123(2) . . ?
C122 C121 O12 124(2) . . ?
C120 C121 O12 112.6(19) . . ?
C121 C122 C123 115(2) . . ?
C121 C122 H12C 122.5 . . ?
C123 C122 H12C 122.5 . . ?
C118 C123 C122 123(2) . . ?
C118 C123 H12D 118.6 . . ?
C122 C123 H12D 118.6 . . ?
C124 O12 C121 125(2) . . ?
O12 C124 H12E 109.5 . . ?
O12 C124 H12F 109.5 . . ?
H12E C124 H12F 109.5 . . ?
O12 C124 H12G 109.5 . . ?
H12E C124 H12G 109.5 . . ?
H12F C124 H12G 109.5 . . ?
C19' C18' C23' 121(2) . . ?
C19' C18' N6 125(2) . . ?
C23' C18' N6 114(2) . . ?
C18' C19' C20' 121(2) . . ?
C18' C19' H19C 119.5 . . ?
C20' C19' H19C 119.5 . . ?
C21' C20' C19' 118(2) . . ?
C21' C20' H20B 121.0 . . ?
C19' C20' H20B 121.0 . . ?
C20' C21' C22' 127(2) . . ?
C20' C21' O12' 125(2) . . ?
C22' C21' O12' 107.6(18) . . ?
C21' C22' C23' 112(2) . . ?
C21' C22' H22B 124.0 . . ?
C23' C22' H22B 124.0 . . ?
C18' C23' C22' 120(2) . . ?
C18' C23' H23B 119.8 . . ?
C22' C23' H23B 119.8 . . ?
C24' O12' C21' 131.7(18) . . ?
O12' C24' H24D 109.5 . . ?
O12' C24' H24E 109.5 . . ?
H24D C24' H24E 109.5 . . ?
O12' C24' H24F 109.5 . . ?
H24D C24' H24F 109.5 . . ?
H24E C24' H24F 109.5 . . ?
O7 C125 C126 128.8(9) . . ?
O7 C125 C128 113.4(8) . . ?
C126 C125 C128 117.8(8) . . ?
C125 C126 C127 122.6(8) . . ?
C125 C126 H12H 118.7 . . ?
C127 C126 H12H 118.7 . . ?
O6 C127 C126 127.3(8) . . ?
O6 C127 C129 112.9(8) . . ?
C126 C127 C129 119.7(8) . . ?
F18 C129 F17 107.2(10) . . ?
F18 C129 F16 106.3(8) . . ?
F17 C129 F16 108.2(9) . . ?
F18 C129 C127 111.4(8) . . ?
F17 C129 C127 110.0(7) . . ?
F16 C129 C127 113.4(9) . . ?
O5 C130 C131 128.7(8) . . ?
O5 C130 C133 110.7(8) . . ?
C131 C130 C133 120.5(8) . . ?
C130 C131 C132 122.1(9) . . ?
C130 C131 H13B 119.0 . . ?
C132 C131 H13B 119.0 . . ?
O8 C132 C131 128.6(10) . . ?
O8 C132 C134 115.5(9) . . ?
C131 C132 C134 115.8(9) . . ?
F20 C133 F21 106.5(8) . . ?
F20 C133 F19 106.8(8) . . ?
F21 C133 F19 104.2(8) . . ?
F20 C133 C130 114.7(8) . . ?
F21 C133 C130 111.4(8) . . ?
F19 C133 C130 112.6(8) . . ?
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 O3 1.978(6) . ?
Cu1 O1 1.988(6) . ?
Cu1 N2 2.007(7) . ?
Cu1 N1 2.008(7) . ?
Cu1 O4 2.294(7) . ?
Cu1 O2 2.381(7) . ?
Cu2 O5 1.975(6) . ?
Cu2 N4 1.986(8) . ?
Cu2 O6 2.002(7) . ?
Cu2 N5 2.009(7) . ?
Cu2 O7 2.283(7) . ?
Cu2 O8 2.374(7) . ?
O1 C27 1.279(11) . ?
O2 C32 1.268(10) . ?
O3 C30 1.237(11) . ?
O4 C25 1.234(11) . ?
O5 C130 1.311(10) . ?
O6 C127 1.274(10) . ?
O7 C125 1.237(11) . ?
O8 C132 1.204(12) . ?
O10 C14 1.333(11) . ?
O10 C17 1.412(13) . ?
O11 C114 1.389(12) . ?
O11 C117 1.468(12) . ?
N1 C1 1.327(11) . ?
N1 C5 1.372(11) . ?
N2 C6 1.326(11) . ?
N2 C10 1.337(11) . ?
N3 C9 1.398(11) . ?
N3 C18 1.431(12) . ?
N3 C11 1.434(10) . ?
N3 C18A 1.53(2) . ?
N5 C105 1.315(10) . ?
N5 C101 1.368(11) . ?
N4 C110 1.324(13) . ?
N4 C106 1.361(11) . ?
N6 C109 1.369(12) . ?
N6 C18' 1.42(3) . ?
N6 C111 1.457(12) . ?
N6 C118 1.49(3) . ?
C28 F1 1.316(15) . ?
C28 F3 1.344(14) . ?
C28 F2 1.360(14) . ?
C28 C25 1.550(15) . ?
F4 C29 1.347(14) . ?
F5 C29 1.341(13) . ?
F6 C29 1.328(12) . ?
C33 F9 1.291(13) . ?
C33 F7 1.334(11) . ?
C33 F8 1.344(13) . ?
C33 C30 1.534(13) . ?
F10 C34 1.347(12) . ?
F11 C34 1.320(10) . ?
F12 C34 1.346(13) . ?
C128 F15 1.321(19) . ?
C128 F13 1.337(17) . ?
C128 F14 1.341(16) . ?
C128 C125 1.571(14) . ?
F16 C129 1.333(11) . ?
F17 C129 1.330(11) . ?
F18 C129 1.320(13) . ?
F19 C133 1.363(12) . ?
F20 C133 1.314(10) . ?
F21 C133 1.361(12) . ?
C134 F23 1.233(16) . ?
C134 F22 1.35(2) . ?
C134 F24 1.43(2) . ?
C134 C132 1.572(17) . ?
C1 C2 1.381(13) . ?
C1 H1A 0.9500 . ?
C2 C3 1.413(13) . ?
C2 H2A 0.9500 . ?
C3 C4 1.381(14) . ?
C3 H3A 0.9500 . ?
C4 C5 1.365(13) . ?
C4 H4A 0.9500 . ?
C5 C6 1.482(11) . ?
C6 C7 1.382(12) . ?
C7 C8 1.387(12) . ?
C7 H7A 0.9500 . ?
C8 C9 1.395(12) . ?
C8 H8A 0.9500 . ?
C9 C10 1.455(12) . ?
C10 H10A 0.9500 . ?
C11 C12 1.386(12) . ?
C11 C16 1.407(12) . ?
C12 C13 1.363(12) . ?
C12 H12A 0.9500 . ?
C13 C14 1.368(14) . ?
C13 H13A 0.9500 . ?
C14 C15 1.432(14) . ?
C15 C16 1.395(13) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.370(16) . ?
C18 C23 1.409(15) . ?
C19 C20 1.414(17) . ?
C19 H19A 0.9500 . ?
C20 C21 1.401(18) . ?
C20 H20A 0.9500 . ?
C21 C22 1.376(18) . ?
C21 O9 1.400(16) . ?
C22 C23 1.384(15) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
O9 C24 1.263(17) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C18A C19A 1.3900 . ?
C18A C23A 1.3900 . ?
C19A C20A 1.3900 . ?
C19A H19B 0.9500 . ?
C20A C21A 1.3900 . ?
C20A H20C 0.9500 . ?
C21A C22A 1.3900 . ?
C21A O9A 1.40(4) . ?
C22A C23A 1.3900 . ?
C22A H22C 0.9500 . ?
C23A H23C 0.9500 . ?
O9A C24A 1.14(7) . ?
C24A H24G 0.9800 . ?
C24A H24H 0.9800 . ?
C24A H24I 0.9800 . ?
C25 C26 1.427(14) . ?
C26 C27 1.393(14) . ?
C26 H26A 0.9500 . ?
C27 C29 1.520(14) . ?
C30 C31 1.389(13) . ?
C31 C32 1.399(13) . ?
C31 H31A 0.9500 . ?
C32 C34 1.515(13) . ?
C101 C102 1.396(13) . ?
C101 H10B 0.9500 . ?
C102 C103 1.351(13) . ?
C102 H10C 0.9500 . ?
C103 C104 1.399(14) . ?
C103 H10D 0.9500 . ?
C104 C105 1.429(12) . ?
C104 H10E 0.9500 . ?
C105 C106 1.456(13) . ?
C106 C107 1.431(12) . ?
C107 C108 1.338(15) . ?
C107 H10F 0.9500 . ?
C108 C109 1.416(13) . ?
C108 H10G 0.9500 . ?
C109 C110 1.381(12) . ?
C110 H11A 0.9500 . ?
C111 C186 1.355(13) . ?
C111 C112 1.383(14) . ?
C112 C113 1.419(14) . ?
C112 H11B 0.9500 . ?
C113 C114 1.437(15) . ?
C113 H11C 0.9500 . ?
C115 C186 1.356(14) . ?
C115 C114 1.364(15) . ?
C115 H11E 0.9500 . ?
C186 H18A 0.9500 . ?
C117 H11F 0.9800 . ?
C117 H11G 0.9800 . ?
C117 H11H 0.9800 . ?
C118 C119 1.38(4) . ?
C118 C123 1.38(4) . ?
C119 C120 1.37(3) . ?
C119 H11I 0.9500 . ?
C120 C121 1.42(3) . ?
C120 H12B 0.9500 . ?
C121 C122 1.37(4) . ?
C121 O12 1.43(3) . ?
C122 C123 1.43(3) . ?
C122 H12C 0.9500 . ?
C123 H12D 0.9500 . ?
O12 C124 1.10(3) . ?
C124 H12E 0.9800 . ?
C124 H12F 0.9800 . ?
C124 H12G 0.9800 . ?
C18' C19' 1.29(4) . ?
C18' C23' 1.39(3) . ?
C19' C20' 1.42(3) . ?
C19' H19C 0.9500 . ?
C20' C21' 1.27(3) . ?
C20' H20B 0.9500 . ?
C21' C22' 1.42(3) . ?
C21' O12' 1.45(2) . ?
C22' C23' 1.44(3) . ?
C22' H22B 0.9500 . ?
C23' H23B 0.9500 . ?
O12' C24' 1.30(3) . ?
C24' H24D 0.9800 . ?
C24' H24E 0.9800 . ?
C24' H24F 0.9800 . ?
C125 C126 1.371(14) . ?
C126 C127 1.386(13) . ?
C126 H12H 0.9500 . ?
C127 C129 1.535(13) . ?
C130 C131 1.331(13) . ?
C130 C133 1.519(13) . ?
C131 C132 1.423(13) . ?
C131 H13B 0.9500 . ?
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
O3 Cu1 O1 C27 -46.3(7) . . . . ?
N2 Cu1 O1 C27 146.5(7) . . . . ?
N1 Cu1 O1 C27 88.2(14) . . . . ?
O4 Cu1 O1 C27 36.3(7) . . . . ?
O2 Cu1 O1 C27 -126.1(7) . . . . ?
O3 Cu1 O2 C32 -42.6(6) . . . . ?
O1 Cu1 O2 C32 55.4(6) . . . . ?
N2 Cu1 O2 C32 148.1(6) . . . . ?
N1 Cu1 O2 C32 -132.3(6) . . . . ?
O4 Cu1 O2 C32 8.3(10) . . . . ?
O1 Cu1 O3 C30 -39.3(8) . . . . ?
N2 Cu1 O3 C30 83.6(13) . . . . ?
N1 Cu1 O3 C30 149.8(8) . . . . ?
O4 Cu1 O3 C30 -122.1(8) . . . . ?
O2 Cu1 O3 C30 39.2(7) . . . . ?
O3 Cu1 O4 C25 59.4(7) . . . . ?
O1 Cu1 O4 C25 -37.6(7) . . . . ?
N2 Cu1 O4 C25 -127.7(7) . . . . ?
N1 Cu1 O4 C25 152.4(7) . . . . ?
O2 Cu1 O4 C25 8.9(11) . . . . ?
N4 Cu2 O5 C130 89.6(14) . . . . ?
O6 Cu2 O5 C130 -38.2(8) . . . . ?
N5 Cu2 O5 C130 153.5(7) . . . . ?
O7 Cu2 O5 C130 -119.9(7) . . . . ?
O8 Cu2 O5 C130 40.4(7) . . . . ?
O5 Cu2 O6 C127 -51.5(8) . . . . ?
N4 Cu2 O6 C127 139.6(8) . . . . ?
N5 Cu2 O6 C127 78.5(13) . . . . ?
O7 Cu2 O6 C127 29.1(7) . . . . ?
O8 Cu2 O6 C127 -131.6(8) . . . . ?
O5 Cu2 O7 C125 62.6(7) . . . . ?
N4 Cu2 O7 C125 -124.7(7) . . . . ?
O6 Cu2 O7 C125 -35.5(7) . . . . ?
N5 Cu2 O7 C125 156.1(7) . . . . ?
O8 Cu2 O7 C125 12.7(11) . . . . ?
O5 Cu2 O8 C132 -43.1(7) . . . . ?
N4 Cu2 O8 C132 147.5(7) . . . . ?
O6 Cu2 O8 C132 55.5(7) . . . . ?
N5 Cu2 O8 C132 -132.8(7) . . . . ?
O7 Cu2 O8 C132 6.8(11) . . . . ?
O3 Cu1 N1 C1 23.8(8) . . . . ?
O1 Cu1 N1 C1 -110.9(14) . . . . ?
N2 Cu1 N1 C1 -170.3(8) . . . . ?
O4 Cu1 N1 C1 -59.4(7) . . . . ?
O2 Cu1 N1 C1 105.5(7) . . . . ?
O3 Cu1 N1 C5 -164.3(6) . . . . ?
O1 Cu1 N1 C5 61.0(15) . . . . ?
N2 Cu1 N1 C5 1.5(6) . . . . ?
O4 Cu1 N1 C5 112.4(6) . . . . ?
O2 Cu1 N1 C5 -82.7(6) . . . . ?
O3 Cu1 N2 C6 60.4(13) . . . . ?
O1 Cu1 N2 C6 -176.3(6) . . . . ?
N1 Cu1 N2 C6 -7.2(6) . . . . ?
O4 Cu1 N2 C6 -92.2(6) . . . . ?
O2 Cu1 N2 C6 104.2(6) . . . . ?
O3 Cu1 N2 C10 -111.1(11) . . . . ?
O1 Cu1 N2 C10 12.2(7) . . . . ?
N1 Cu1 N2 C10 -178.7(7) . . . . ?
O4 Cu1 N2 C10 96.3(7) . . . . ?
O2 Cu1 N2 C10 -67.3(7) . . . . ?
O5 Cu2 N5 C105 -168.0(7) . . . . ?
N4 Cu2 N5 C105 -0.7(7) . . . . ?
O6 Cu2 N5 C105 61.7(14) . . . . ?
O7 Cu2 N5 C105 110.6(7) . . . . ?
O8 Cu2 N5 C105 -85.8(7) . . . . ?
O5 Cu2 N5 C101 23.6(8) . . . . ?
N4 Cu2 N5 C101 -169.1(8) . . . . ?
O6 Cu2 N5 C101 -106.8(12) . . . . ?
O7 Cu2 N5 C101 -57.9(8) . . . . ?
O8 Cu2 N5 C101 105.7(8) . . . . ?
O5 Cu2 N4 C110 -111.8(13) . . . . ?
O6 Cu2 N4 C110 16.5(9) . . . . ?
N5 Cu2 N4 C110 -177.0(9) . . . . ?
O7 Cu2 N4 C110 99.5(9) . . . . ?
O8 Cu2 N4 C110 -63.3(9) . . . . ?
O5 Cu2 N4 C106 59.9(15) . . . . ?
O6 Cu2 N4 C106 -171.8(7) . . . . ?
N5 Cu2 N4 C106 -5.3(7) . . . . ?
O7 Cu2 N4 C106 -88.8(7) . . . . ?
O8 Cu2 N4 C106 108.4(7) . . . . ?
C5 N1 C1 C2 -0.3(13) . . . . ?
Cu1 N1 C1 C2 170.9(7) . . . . ?
N1 C1 C2 C3 -2.1(14) . . . . ?
C1 C2 C3 C4 1.9(15) . . . . ?
C2 C3 C4 C5 0.8(16) . . . . ?
C3 C4 C5 N1 -3.3(16) . . . . ?
C3 C4 C5 C6 -175.5(10) . . . . ?
C1 N1 C5 C4 3.1(13) . . . . ?
Cu1 N1 C5 C4 -169.2(8) . . . . ?
C1 N1 C5 C6 176.0(8) . . . . ?
Cu1 N1 C5 C6 3.7(9) . . . . ?
C10 N2 C6 C7 1.9(13) . . . . ?
Cu1 N2 C6 C7 -169.5(7) . . . . ?
C10 N2 C6 C5 -177.6(8) . . . . ?
Cu1 N2 C6 C5 11.0(10) . . . . ?
C4 C5 C6 N2 162.8(9) . . . . ?
N1 C5 C6 N2 -9.7(11) . . . . ?
C4 C5 C6 C7 -16.6(15) . . . . ?
N1 C5 C6 C7 170.8(8) . . . . ?
N2 C6 C7 C8 -2.3(14) . . . . ?
C5 C6 C7 C8 177.1(9) . . . . ?
C6 C7 C8 C9 -1.8(14) . . . . ?
C7 C8 C9 N3 -175.6(9) . . . . ?
C7 C8 C9 C10 5.9(13) . . . . ?
C18 N3 C9 C8 10.7(14) . . . . ?
C11 N3 C9 C8 -174.7(8) . . . . ?
C18A N3 C9 C8 29.1(18) . . . . ?
C18 N3 C9 C10 -170.8(9) . . . . ?
C11 N3 C9 C10 3.7(13) . . . . ?
C18A N3 C9 C10 -152.4(15) . . . . ?
C6 N2 C10 C9 2.5(13) . . . . ?
Cu1 N2 C10 C9 173.4(6) . . . . ?
C8 C9 C10 N2 -6.3(13) . . . . ?
N3 C9 C10 N2 175.2(8) . . . . ?
C9 N3 C11 C12 -114.5(9) . . . . ?
C18 N3 C11 C12 60.3(11) . . . . ?
C18A N3 C11 C12 40.7(17) . . . . ?
C9 N3 C11 C16 66.5(11) . . . . ?
C18 N3 C11 C16 -118.7(9) . . . . ?
C18A N3 C11 C16 -138.3(15) . . . . ?
C16 C11 C12 C13 -2.5(12) . . . . ?
N3 C11 C12 C13 178.5(7) . . . . ?
C11 C12 C13 C14 -0.5(14) . . . . ?
C17 O10 C14 C13 171.1(10) . . . . ?
C17 O10 C14 C15 -10.1(15) . . . . ?
C12 C13 C14 O10 -179.7(9) . . . . ?
C12 C13 C14 C15 1.4(15) . . . . ?
O10 C14 C15 C16 -178.2(9) . . . . ?
C13 C14 C15 C16 0.5(15) . . . . ?
C14 C15 C16 C11 -3.5(14) . . . . ?
C12 C11 C16 C15 4.5(13) . . . . ?
N3 C11 C16 C15 -176.5(8) . . . . ?
C9 N3 C18 C19 59.3(14) . . . . ?
C11 N3 C18 C19 -115.4(11) . . . . ?
C18A N3 C18 C19 -15(5) . . . . ?
C9 N3 C18 C23 -121.1(10) . . . . ?
C11 N3 C18 C23 64.2(12) . . . . ?
C18A N3 C18 C23 164(5) . . . . ?
C23 C18 C19 C20 3.1(17) . . . . ?
N3 C18 C19 C20 -177.4(10) . . . . ?
C18 C19 C20 C21 -1.8(18) . . . . ?
C19 C20 C21 C22 0.5(19) . . . . ?
C19 C20 C21 O9 -178.0(11) . . . . ?
O9 C21 C22 C23 178.1(11) . . . . ?
C20 C21 C22 C23 -0.5(19) . . . . ?
C21 C22 C23 C18 1.7(18) . . . . ?
C19 C18 C23 C22 -3.0(16) . . . . ?
N3 C18 C23 C22 177.4(10) . . . . ?
C22 C21 O9 C24 176.5(13) . . . . ?
C20 C21 O9 C24 -5(2) . . . . ?
C9 N3 C18A C19A 59(2) . . . . ?
C18 N3 C18A C19A 174(6) . . . . ?
C11 N3 C18A C19A -97(2) . . . . ?
C9 N3 C18A C23A -118.7(16) . . . . ?
C18 N3 C18A C23A -4(4) . . . . ?
C11 N3 C18A C23A 84.8(19) . . . . ?
C23A C18A C19A C20A 0.0 . . . . ?
N3 C18A C19A C20A -178(3) . . . . ?
C18A C19A C20A C21A 0.0 . . . . ?
C19A C20A C21A C22A 0.0 . . . . ?
C19A C20A C21A O9A 179(3) . . . . ?
C20A C21A C22A C23A 0.0 . . . . ?
O9A C21A C22A C23A -178(4) . . . . ?
C21A C22A C23A C18A 0.0 . . . . ?
C19A C18A C23A C22A 0.0 . . . . ?
N3 C18A C23A C22A 178(2) . . . . ?
C20A C21A O9A C24A -160(6) . . . . ?
C22A C21A O9A C24A 19(8) . . . . ?
Cu1 O4 C25 C26 28.4(14) . . . . ?
Cu1 O4 C25 C28 -156.3(7) . . . . ?
F1 C28 C25 O4 -20.9(14) . . . . ?
F3 C28 C25 O4 95.8(11) . . . . ?
F2 C28 C25 O4 -142.7(10) . . . . ?
F1 C28 C25 C26 155.2(10) . . . . ?
F3 C28 C25 C26 -88.2(11) . . . . ?
F2 C28 C25 C26 33.3(12) . . . . ?
O4 C25 C26 C27 -1.6(17) . . . . ?
C28 C25 C26 C27 -177.1(9) . . . . ?
Cu1 O1 C27 C26 -23.7(13) . . . . ?
Cu1 O1 C27 C29 159.4(7) . . . . ?
C25 C26 C27 O1 -5.0(15) . . . . ?
C25 C26 C27 C29 171.7(9) . . . . ?
O1 C27 C29 F6 -168.5(9) . . . . ?
C26 C27 C29 F6 14.3(15) . . . . ?
O1 C27 C29 F5 -46.0(12) . . . . ?
C26 C27 C29 F5 136.8(10) . . . . ?
O1 C27 C29 F4 69.5(11) . . . . ?
C26 C27 C29 F4 -107.6(10) . . . . ?
Cu1 O3 C30 C31 -22.3(14) . . . . ?
Cu1 O3 C30 C33 157.8(7) . . . . ?
F9 C33 C30 O3 -47.8(13) . . . . ?
F7 C33 C30 O3 -172.7(9) . . . . ?
F8 C33 C30 O3 69.9(11) . . . . ?
F9 C33 C30 C31 132.4(10) . . . . ?
F7 C33 C30 C31 7.4(14) . . . . ?
F8 C33 C30 C31 -110.0(10) . . . . ?
O3 C30 C31 C32 -11.8(15) . . . . ?
C33 C30 C31 C32 168.0(9) . . . . ?
Cu1 O2 C32 C31 31.3(11) . . . . ?
Cu1 O2 C32 C34 -149.7(6) . . . . ?
C30 C31 C32 O2 0.8(14) . . . . ?
C30 C31 C32 C34 -178.2(8) . . . . ?
O2 C32 C34 F11 175.5(9) . . . . ?
C31 C32 C34 F11 -5.4(14) . . . . ?
O2 C32 C34 F12 53.5(11) . . . . ?
C31 C32 C34 F12 -127.4(9) . . . . ?
O2 C32 C34 F10 -62.3(11) . . . . ?
C31 C32 C34 F10 116.8(9) . . . . ?
C105 N5 C101 C102 1.7(14) . . . . ?
Cu2 N5 C101 C102 169.7(7) . . . . ?
N5 C101 C102 C103 -3.4(15) . . . . ?
C101 C102 C103 C104 3.1(16) . . . . ?
C102 C103 C104 C105 -1.3(15) . . . . ?
C101 N5 C105 C104 0.3(14) . . . . ?
Cu2 N5 C105 C104 -168.9(7) . . . . ?
C101 N5 C105 C106 175.4(8) . . . . ?
Cu2 N5 C105 C106 6.2(11) . . . . ?
C103 C104 C105 N5 -0.5(14) . . . . ?
C103 C104 C105 C106 -175.2(9) . . . . ?
C110 N4 C106 C107 3.3(14) . . . . ?
Cu2 N4 C106 C107 -169.1(7) . . . . ?
C110 N4 C106 C105 -177.5(9) . . . . ?
Cu2 N4 C106 C105 10.1(11) . . . . ?
N5 C105 C106 N4 -10.9(13) . . . . ?
C104 C105 C106 N4 164.1(9) . . . . ?
N5 C105 C106 C107 168.2(9) . . . . ?
C104 C105 C106 C107 -16.8(16) . . . . ?
N4 C106 C107 C108 -4.8(14) . . . . ?
C105 C106 C107 C108 176.1(10) . . . . ?
C106 C107 C108 C109 0.7(16) . . . . ?
C18' N6 C109 C110 -167.6(15) . . . . ?
C111 N6 C109 C110 3.6(15) . . . . ?
C118 N6 C109 C110 -156.4(16) . . . . ?
C18' N6 C109 C108 13.8(19) . . . . ?
C111 N6 C109 C108 -175.0(9) . . . . ?
C118 N6 C109 C108 25.0(19) . . . . ?
C107 C108 C109 N6 -176.7(10) . . . . ?
C107 C108 C109 C110 4.5(15) . . . . ?
C106 N4 C110 C109 2.5(16) . . . . ?
Cu2 N4 C110 C109 173.7(8) . . . . ?
N6 C109 C110 N4 174.9(9) . . . . ?
C108 C109 C110 N4 -6.4(15) . . . . ?
C109 N6 C111 C186 64.0(13) . . . . ?
C18' N6 C111 C186 -123.9(15) . . . . ?
C118 N6 C111 C186 -136.6(16) . . . . ?
C109 N6 C111 C112 -113.5(11) . . . . ?
C18' N6 C111 C112 58.6(16) . . . . ?
C118 N6 C111 C112 45.9(18) . . . . ?
C186 C111 C112 C113 0.4(15) . . . . ?
N6 C111 C112 C113 177.9(9) . . . . ?
C111 C112 C113 C114 -1.0(15) . . . . ?
C186 C115 C114 O11 178.6(10) . . . . ?
C186 C115 C114 C113 -2.0(17) . . . . ?
C117 O11 C114 C115 -6.6(16) . . . . ?
C117 O11 C114 C113 174.0(9) . . . . ?
C112 C113 C114 C115 1.7(15) . . . . ?
C112 C113 C114 O11 -178.7(9) . . . . ?
C112 C111 C186 C115 -0.5(16) . . . . ?
N6 C111 C186 C115 -178.1(9) . . . . ?
C114 C115 C186 C111 1.4(17) . . . . ?
C109 N6 C118 C119 66(3) . . . . ?
C18' N6 C118 C119 -161(12) . . . . ?
C111 N6 C118 C119 -94(3) . . . . ?
C109 N6 C118 C123 -116(2) . . . . ?
C18' N6 C118 C123 16(8) . . . . ?
C111 N6 C118 C123 83(3) . . . . ?
C123 C118 C119 C120 5(4) . . . . ?
N6 C118 C119 C120 -178(2) . . . . ?
C118 C119 C120 C121 -8(3) . . . . ?
C119 C120 C121 C122 12(3) . . . . ?
C119 C120 C121 O12 -176.8(18) . . . . ?
C120 C121 C122 C123 -12(3) . . . . ?
O12 C121 C122 C123 177(2) . . . . ?
C119 C118 C123 C122 -6(4) . . . . ?
N6 C118 C123 C122 177(2) . . . . ?
C121 C122 C123 C118 9(4) . . . . ?
C122 C121 O12 C124 -13(4) . . . . ?
C120 C121 O12 C124 176(2) . . . . ?
C109 N6 C18' C19' 58(3) . . . . ?
C111 N6 C18' C19' -114(2) . . . . ?
C118 N6 C18' C19' 5(8) . . . . ?
C109 N6 C18' C23' -114.2(19) . . . . ?
C111 N6 C18' C23' 74(2) . . . . ?
C118 N6 C18' C23' -167(12) . . . . ?
C23' C18' C19' C20' -8(4) . . . . ?
N6 C18' C19' C20' -180(2) . . . . ?
C18' C19' C20' C21' 7(3) . . . . ?
C19' C20' C21' C22' -3(3) . . . . ?
C19' C20' C21' O12' 174.4(18) . . . . ?
C20' C21' C22' C23' 0(3) . . . . ?
O12' C21' C22' C23' -177.9(16) . . . . ?
C19' C18' C23' C22' 5(4) . . . . ?
N6 C18' C23' C22' 177.2(18) . . . . ?
C21' C22' C23' C18' 0(3) . . . . ?
C20' C21' O12' C24' 10(4) . . . . ?
C22' C21' O12' C24' -173(2) . . . . ?
Cu2 O7 C125 C126 29.6(14) . . . . ?
Cu2 O7 C125 C128 -150.9(6) . . . . ?
F15 C128 C125 O7 41.6(15) . . . . ?
F13 C128 C125 O7 -78.6(14) . . . . ?
F14 C128 C125 O7 161.3(11) . . . . ?
F15 C128 C125 C126 -138.9(14) . . . . ?
F13 C128 C125 C126 100.9(14) . . . . ?
F14 C128 C125 C126 -19.2(15) . . . . ?
O7 C125 C126 C127 -2.1(17) . . . . ?
C128 C125 C126 C127 178.5(9) . . . . ?
Cu2 O6 C127 C126 -14.2(14) . . . . ?
Cu2 O6 C127 C129 163.5(6) . . . . ?
C125 C126 C127 O6 -10.0(16) . . . . ?
C125 C126 C127 C129 172.4(9) . . . . ?
O6 C127 C129 F18 -62.9(11) . . . . ?
C126 C127 C129 F18 115.0(10) . . . . ?
O6 C127 C129 F17 55.8(12) . . . . ?
C126 C127 C129 F17 -126.3(10) . . . . ?
O6 C127 C129 F16 177.2(8) . . . . ?
C126 C127 C129 F16 -4.9(13) . . . . ?
Cu2 O5 C130 C131 -22.7(15) . . . . ?
Cu2 O5 C130 C133 154.5(6) . . . . ?
O5 C130 C131 C132 -14.9(17) . . . . ?
C133 C130 C131 C132 168.1(10) . . . . ?
Cu2 O8 C132 C131 28.1(14) . . . . ?
Cu2 O8 C132 C134 -147.8(7) . . . . ?
C130 C131 C132 O8 6.5(18) . . . . ?
C130 C131 C132 C134 -177.6(10) . . . . ?
F23 C134 C132 O8 173.5(14) . . . . ?
F22 C134 C132 O8 47.0(17) . . . . ?
F24 C134 C132 O8 -56.8(15) . . . . ?
F23 C134 C132 C131 -3.0(18) . . . . ?
F22 C134 C132 C131 -129.4(15) . . . . ?
F24 C134 C132 C131 126.7(13) . . . . ?
O5 C130 C133 F20 -167.5(9) . . . . ?
C131 C130 C133 F20 10.0(15) . . . . ?
O5 C130 C133 F21 71.5(11) . . . . ?
C131 C130 C133 F21 -111.0(10) . . . . ?
O5 C130 C133 F19 -45.1(11) . . . . ?
C131 C130 C133 F19 132.4(10) . . . . ?
