#------------------------------------------------------------------------------
#$Date: 2018-09-01 17:54:47 +0300 (Sat, 01 Sep 2018) $
#$Revision: 210308 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/33/32/4333209.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4333209
loop_
_publ_author_name
'Kajita, Yuji'
'Arii, Hidekazu'
'Saito, Takahiro'
'Saito, Yamato'
'Nagatomo, Shigenori'
'Kitagawa, Teizo'
'Funahashi, Yasuhiro'
'Ozawa, Tomohiro'
'Masuda, Hideki'
_publ_section_title
;
 Syntheses, Characterization, and Dioxygen Reactivities of Cu(I)
 Complexes with cis,cis-1,3,5-Triaminocyclohexane Derivatives:
 A Cu(III)2O2Intermediate Exhibiting Higher C--H Activation
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3322
_journal_page_last               3335
_journal_paper_doi               10.1021/ic062206s
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C28 H33 Cu F6 N3 O2 Sb'
_chemical_formula_weight         742.87
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.000(15)
_cell_angle_beta                 107.925(17)
_cell_angle_gamma                90.000(15)
_cell_formula_units_Z            8
_cell_length_a                   16.97(3)
_cell_length_b                   19.83(2)
_cell_length_c                   19.62(4)
_cell_measurement_reflns_used    130
_cell_measurement_temperature    103.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6282(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            49757
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.600
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2976.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         9.05
_refine_diff_density_min         -24.60
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     805
_refine_ls_number_reflns         26801
_refine_ls_R_factor_gt           0.0701
_refine_ls_shift/su_max          0.0019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0078Fo² + 1.0000σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2128
_reflns_number_gt                26801
_reflns_number_total             13829
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_duplicate_entry             4307709
_cod_data_source_file            ic062206ssup4.cif
_cod_data_source_block           '__BnCYCuCOSbF6'
_cod_original_cell_volume        6282(19)
_cod_original_formula_sum        'C56 H66 Cu2 F12 N6 O4 Sb2 '
_cod_database_code               4333209
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,+Z
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
Sb(1) Sb 0.64072(2) 0.38966(2) 0.64667(2) 0.04988(12) Uani 1.00 1 d .
Sb(2) Sb 0.63173(2) -0.11786(2) 0.68197(2) 0.03621(9) Uani 1.00 1 d .
Cu(1) Cu 0.50675(4) 0.61883(3) 0.76076(3) 0.03787(17) Uani 1.00 1 d .
Cu(2) Cu 0.49627(4) 0.16797(3) 0.71121(3) 0.04338(18) Uani 1.00 1 d .
F(1) F 0.7389(2) 0.3441(2) 0.6868(2) 0.0823(13) Uani 1.00 1 d .
F(2) F 0.5429(2) 0.4357(2) 0.6011(3) 0.155(2) Uani 1.00 1 d .
F(3) F 0.6925(2) 0.4422(2) 0.5987(3) 0.140(2) Uani 1.00 1 d .
F(4) F 0.5849(2) 0.3317(2) 0.6881(3) 0.126(2) Uani 1.00 1 d .
F(5) F 0.6182(3) 0.3289(2) 0.5726(2) 0.1263(19) Uani 1.00 1 d .
F(6) F 0.6631(3) 0.4478(3) 0.7220(3) 0.164(2) Uani 1.00 1 d .
F(7) F 0.74242(18) -0.1207(2) 0.73746(19) 0.0722(12) Uani 1.00 1 d .
F(8) F 0.5210(2) -0.11414(19) 0.6256(2) 0.0749(12) Uani 1.00 1 d .
F(9) F 0.6607(2) -0.05862(19) 0.6201(2) 0.0758(13) Uani 1.00 1 d .
F(10) F 0.6039(2) -0.17955(19) 0.74262(19) 0.0698(12) Uani 1.00 1 d .
F(11) F 0.6499(2) -0.18970(18) 0.62698(19) 0.0678(11) Uani 1.00 1 d .
F(12) F 0.6122(2) -0.04654(19) 0.7364(2) 0.0736(12) Uani 1.00 1 d .
O(1) O 0.5854(2) 0.5878(2) 0.9132(2) 0.0853(17) Uani 1.00 1 d .
O(2) O 0.5507(3) 0.2237(2) 0.8565(2) 0.0955(19) Uani 1.00 1 d .
O(3) O 0.7597(2) 0.4282(2) 0.0388(4) 0.181(3) Uani 1.00 1 d .
O(4) O 0.2154(2) 0.1505(2) 0.9213(3) 0.0921(18) Uani 1.00 1 d .
N(1) N 0.5764(3) 0.6453(5) 0.6979(3) 0.180(4) Uani 1.00 1 d .
N(2) N 0.4195(5) 0.6903(4) 0.7169(3) 0.163(3) Uani 1.00 1 d .
N(3) N 0.4472(5) 0.5417(4) 0.6890(3) 0.175(3) Uani 1.00 1 d .
N(4) N 0.4378(2) 0.2336(2) 0.6252(2) 0.0561(15) Uani 1.00 1 d .
N(5) N 0.4082(3) 0.0954(2) 0.6765(2) 0.0635(16) Uani 1.00 1 d .
N(6) N 0.5776(3) 0.1288(4) 0.6651(3) 0.136(3) Uani 1.00 1 d .
C(1) C 0.5255(4) 0.6617(5) 0.6197(3) 0.091(3) Uani 1.00 1 d .
C(2) C 0.4574(5) 0.7094(3) 0.6137(4) 0.107(2) Uani 1.00 1 d .
C(3) C 0.3783(5) 0.6828(4) 0.6326(3) 0.090(2) Uani 1.00 1 d .
C(4) C 0.3609(4) 0.6131(5) 0.6047(3) 0.093(2) Uani 1.00 1 d .
C(5) C 0.4328(4) 0.5665(3) 0.6057(4) 0.082(2) Uani 1.00 1 d .
C(6) C 0.5020(4) 0.5960(4) 0.5941(4) 0.077(2) Uani 1.00 1 d .
C(7) C 0.6585(3) 0.6401(3) 0.7112(3) 0.059(2) Uani 1.00 1 d .
C(8) C 0.7140(3) 0.6372(3) 0.7883(3) 0.0504(17) Uani 1.00 1 d .
C(9) C 0.7092(3) 0.6875(3) 0.8348(3) 0.0626(19) Uani 1.00 1 d .
C(10) C 0.7591(4) 0.6832(4) 0.9032(3) 0.077(2) Uani 1.00 1 d .
C(11) C 0.8101(4) 0.6312(4) 0.9271(4) 0.091(3) Uani 1.00 1 d .
C(12) C 0.8152(4) 0.5824(4) 0.8827(4) 0.081(2) Uani 1.00 1 d .
C(13) C 0.7690(3) 0.5849(3) 0.8139(3) 0.067(2) Uani 1.00 1 d .
C(14) C 0.4058(3) 0.7500(3) 0.7505(2) 0.0522(17) Uani 1.00 1 d .
C(15) C 0.4407(3) 0.7477(3) 0.8310(3) 0.0526(18) Uani 1.00 1 d .
C(16) C 0.4009(4) 0.7101(3) 0.8711(3) 0.068(2) Uani 1.00 1 d .
C(17) C 0.4288(4) 0.7054(3) 0.9432(3) 0.076(2) Uani 1.00 1 d .
C(18) C 0.5000(4) 0.7394(4) 0.9775(3) 0.075(2) Uani 1.00 1 d .
C(19) C 0.5388(4) 0.7804(4) 0.9410(3) 0.072(2) Uani 1.00 1 d .
C(20) C 0.5090(3) 0.7825(3) 0.8668(3) 0.0555(18) Uani 1.00 1 d .
C(21) C 0.3917(4) 0.4965(3) 0.7051(3) 0.067(2) Uani 1.00 1 d .
C(22) C 0.4204(3) 0.4724(3) 0.7826(3) 0.0537(18) Uani 1.00 1 d .
C(23) C 0.4763(4) 0.4191(3) 0.8019(4) 0.071(2) Uani 1.00 1 d .
C(24) C 0.5000(4) 0.3979(3) 0.8748(4) 0.086(2) Uani 1.00 1 d .
C(25) C 0.4684(5) 0.4302(4) 0.9259(4) 0.093(3) Uani 1.00 1 d .
C(26) C 0.4153(5) 0.4831(5) 0.9039(4) 0.111(3) Uani 1.00 1 d .
C(27) C 0.3894(4) 0.5025(3) 0.8332(4) 0.088(2) Uani 1.00 1 d .
C(28) C 0.5535(3) 0.6012(3) 0.8553(3) 0.0522(18) Uani 1.00 1 d .
C(29) C 0.4170(3) 0.1956(3) 0.5549(2) 0.0595(18) Uani 1.00 1 d .
C(30) C 0.3572(3) 0.1388(3) 0.5507(2) 0.0560(18) Uani 1.00 1 d .
C(31) C 0.3939(4) 0.0780(3) 0.5949(3) 0.0620(19) Uani 1.00 1 d .
C(32) C 0.4704(4) 0.0539(3) 0.5835(3) 0.082(2) Uani 1.00 1 d .
C(33) C 0.5366(4) 0.1085(5) 0.5875(3) 0.092(2) Uani 1.00 1 d .
C(34) C 0.4971(3) 0.1719(3) 0.5429(3) 0.066(2) Uani 1.00 1 d .
C(35) C 0.3699(3) 0.2733(2) 0.6345(3) 0.0575(18) Uani 1.00 1 d .
C(36) C 0.3214(3) 0.3163(2) 0.5733(2) 0.0436(15) Uani 1.00 1 d .
C(37) C 0.2414(3) 0.3050(2) 0.5397(3) 0.0583(19) Uani 1.00 1 d .
C(38) C 0.1986(4) 0.3459(4) 0.4823(4) 0.078(2) Uani 1.00 1 d .
C(39) C 0.2356(5) 0.3955(3) 0.4596(4) 0.073(2) Uani 1.00 1 d .
C(40) C 0.3166(5) 0.4081(3) 0.4944(4) 0.081(2) Uani 1.00 1 d .
C(41) C 0.3620(4) 0.3680(2) 0.5505(3) 0.063(2) Uani 1.00 1 d .
C(42) C 0.4121(3) 0.0309(2) 0.7175(2) 0.0507(16) Uani 1.00 1 d .
C(43) C 0.4363(3) 0.0454(2) 0.7949(2) 0.0421(15) Uani 1.00 1 d .
C(44) C 0.5061(3) 0.0180(3) 0.8405(3) 0.061(2) Uani 1.00 1 d .
C(45) C 0.5283(3) 0.0332(3) 0.9133(3) 0.069(2) Uani 1.00 1 d .
C(46) C 0.4824(3) 0.0757(3) 0.9413(3) 0.060(2) Uani 1.00 1 d .
C(47) C 0.4151(3) 0.1013(3) 0.8971(3) 0.0580(19) Uani 1.00 1 d .
C(48) C 0.3901(3) 0.0857(3) 0.8241(3) 0.0556(18) Uani 1.00 1 d .
C(49) C 0.6567(4) 0.1225(5) 0.6902(4) 0.128(3) Uani 1.00 1 d .
C(50) C 0.7030(3) 0.1425(3) 0.7639(3) 0.0601(19) Uani 1.00 1 d .
C(51) C 0.7490(4) 0.1981(4) 0.7784(4) 0.107(3) Uani 1.00 1 d .
C(52) C 0.7890(5) 0.2167(5) 0.8452(6) 0.123(4) Uani 1.00 1 d .
C(53) C 0.7848(5) 0.1786(5) 0.8998(5) 0.115(3) Uani 1.00 1 d .
C(54) C 0.7413(5) 0.1206(5) 0.8890(4) 0.105(3) Uani 1.00 1 d .
C(55) C 0.7017(4) 0.1041(3) 0.8202(4) 0.086(2) Uani 1.00 1 d .
C(56) C 0.5287(3) 0.2022(3) 0.7992(3) 0.0557(18) Uani 1.00 1 d .
H(1) H 0.5602 0.6795 0.5942 0.112 Uiso 1.00 1 c R
H(2) H 0.4781 0.7460 0.6454 0.103 Uiso 1.00 1 c R
H(3) H 0.4385 0.7256 0.5658 0.103 Uiso 1.00 1 c R
H(4) H 0.3313 0.7113 0.6152 0.117 Uiso 1.00 1 c R
H(5) H 0.3303 0.5933 0.6327 0.113 Uiso 1.00 1 c R
H(6) H 0.3272 0.6153 0.5561 0.113 Uiso 1.00 1 c R
H(7) H 0.4147 0.5290 0.5747 0.088 Uiso 1.00 1 c R
H(8) H 0.4927 0.5948 0.5439 0.097 Uiso 1.00 1 c R
H(9) H 0.5483 0.5685 0.6174 0.097 Uiso 1.00 1 c R
H(10) H 0.5825 0.6907 0.7140 0.217 Uiso 1.00 1 c R
H(11) H 0.3757 0.6663 0.7266 0.195 Uiso 1.00 1 c R
H(12) H 0.4930 0.5126 0.6936 0.183 Uiso 1.00 1 c R
H(13) H 0.6623 0.5975 0.6905 0.072 Uiso 1.00 1 c R
H(14) H 0.6798 0.6740 0.6875 0.072 Uiso 1.00 1 c R
H(15) H 0.6713 0.7237 0.8189 0.072 Uiso 1.00 1 c R
H(16) H 0.7575 0.7194 0.9345 0.089 Uiso 1.00 1 c R
H(17) H 0.8409 0.6287 0.9764 0.105 Uiso 1.00 1 c R
H(18) H 0.8542 0.5471 0.8991 0.090 Uiso 1.00 1 c R
H(19) H 0.7734 0.5499 0.7822 0.076 Uiso 1.00 1 c R
H(20) H 0.4328 0.7857 0.7342 0.065 Uiso 1.00 1 c R
H(21) H 0.3480 0.7588 0.7371 0.065 Uiso 1.00 1 c R
H(22) H 0.3515 0.6868 0.8461 0.081 Uiso 1.00 1 c R
H(23) H 0.4005 0.6803 0.9697 0.091 Uiso 1.00 1 c R
H(24) H 0.5223 0.7359 1.0281 0.092 Uiso 1.00 1 c R
H(25) H 0.5877 0.8043 0.9662 0.086 Uiso 1.00 1 c R
H(26) H 0.5359 0.8093 0.8405 0.069 Uiso 1.00 1 c R
H(27) H 0.3392 0.5176 0.6956 0.079 Uiso 1.00 1 c R
H(28) H 0.3869 0.4584 0.6747 0.079 Uiso 1.00 1 c R
H(29) H 0.4982 0.3981 0.7681 0.089 Uiso 1.00 1 c R
H(30) H 0.5372 0.3611 0.8898 0.101 Uiso 1.00 1 c R
H(31) H 0.4860 0.4163 0.9746 0.116 Uiso 1.00 1 c R
H(32) H 0.3943 0.5043 0.9381 0.146 Uiso 1.00 1 c R
H(33) H 0.3494 0.5375 0.8186 0.114 Uiso 1.00 1 c R
H(34) H 0.3913 0.2270 0.5181 0.068 Uiso 1.00 1 c R
H(35) H 0.3137 0.1559 0.5668 0.065 Uiso 1.00 1 c R
H(36) H 0.3353 0.1248 0.5022 0.065 Uiso 1.00 1 c R
H(37) H 0.3543 0.0426 0.5816 0.073 Uiso 1.00 1 c R
H(38) H 0.4941 0.0203 0.6183 0.091 Uiso 1.00 1 c R
H(39) H 0.4556 0.0345 0.5370 0.091 Uiso 1.00 1 c R
H(40) H 0.5763 0.0903 0.5673 0.108 Uiso 1.00 1 c R
H(41) H 0.4865 0.1629 0.4934 0.081 Uiso 1.00 1 c R
H(42) H 0.5359 0.2077 0.5570 0.082 Uiso 1.00 1 c R
H(43) H 0.4790 0.2657 0.6243 0.065 Uiso 1.00 1 c R
H(44) H 0.3580 0.1156 0.6783 0.075 Uiso 1.00 1 c R
H(45) H 0.5863 0.1725 0.6490 0.156 Uiso 1.00 1 c R
H(46) H 0.3319 0.2429 0.6450 0.070 Uiso 1.00 1 c R
H(47) H 0.3923 0.3023 0.6744 0.070 Uiso 1.00 1 c R
H(48) H 0.2138 0.2694 0.5554 0.070 Uiso 1.00 1 c R
H(49) H 0.1414 0.3379 0.4592 0.091 Uiso 1.00 1 c R
H(50) H 0.2053 0.4232 0.4208 0.084 Uiso 1.00 1 c R
H(51) H 0.3438 0.4431 0.4774 0.102 Uiso 1.00 1 c R
H(52) H 0.4190 0.3766 0.5739 0.074 Uiso 1.00 1 c R
H(53) H 0.3601 0.0086 0.7030 0.061 Uiso 1.00 1 c R
H(54) H 0.4530 0.0027 0.7084 0.061 Uiso 1.00 1 c R
H(55) H 0.5392 -0.0115 0.8225 0.073 Uiso 1.00 1 c R
H(56) H 0.5774 0.0138 0.9445 0.077 Uiso 1.00 1 c R
H(57) H 0.5002 0.0865 0.9908 0.073 Uiso 1.00 1 c R
H(58) H 0.3824 0.1301 0.9162 0.069 Uiso 1.00 1 c R
H(59) H 0.3393 0.1032 0.7938 0.065 Uiso 1.00 1 c R
H(60) H 0.6647 0.0753 0.6870 0.147 Uiso 1.00 1 c R
H(61) H 0.6830 0.1456 0.6607 0.147 Uiso 1.00 1 c R
H(62) H 0.7516 0.2261 0.7400 0.119 Uiso 1.00 1 c R
H(63) H 0.8233 0.2556 0.8545 0.136 Uiso 1.00 1 c R
H(64) H 0.8101 0.1924 0.9480 0.125 Uiso 1.00 1 c R
H(65) H 0.7396 0.0919 0.9272 0.117 Uiso 1.00 1 c R
H(66) H 0.6698 0.0639 0.8116 0.097 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cu Cu 0.320 1.265
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Sb Sb -0.587 1.546
;
International Tables for Crystallography
(1992, 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
F(1) Sb(1) F(2) 176.7(2)
F(1) Sb(1) F(3) 89.1(2)
F(1) Sb(1) F(4) 91.4(2)
F(1) Sb(1) F(5) 87.5(2)
F(1) Sb(1) F(6) 91.6(2)
F(2) Sb(1) F(3) 88.4(2)
F(2) Sb(1) F(4) 90.8(2)
F(2) Sb(1) F(5) 90.2(2)
F(2) Sb(1) F(6) 90.7(2)
F(3) Sb(1) F(4) 174.9(2)
F(3) Sb(1) F(5) 89.0(2)
F(3) Sb(1) F(6) 92.5(2)
F(4) Sb(1) F(5) 85.9(2)
F(4) Sb(1) F(6) 92.5(2)
F(5) Sb(1) F(6) 178.2(2)
F(7) Sb(2) F(8) 179.27(17)
F(7) Sb(2) F(9) 88.78(16)
F(7) Sb(2) F(10) 90.89(15)
F(7) Sb(2) F(11) 89.94(15)
F(7) Sb(2) F(12) 90.71(15)
F(8) Sb(2) F(9) 90.50(16)
F(8) Sb(2) F(10) 89.83(16)
F(8) Sb(2) F(11) 90.17(15)
F(8) Sb(2) F(12) 89.18(16)
F(9) Sb(2) F(10) 178.18(17)
F(9) Sb(2) F(11) 88.93(17)
F(9) Sb(2) F(12) 91.36(17)
F(10) Sb(2) F(11) 89.28(17)
F(10) Sb(2) F(12) 90.43(17)
F(11) Sb(2) F(12) 179.29(15)
N(1) Cu(1) N(2) 92.6(3)
N(1) Cu(1) N(3) 91.8(3)
N(1) Cu(1) C(28) 121.4(2)
N(2) Cu(1) N(3) 94.9(3)
N(2) Cu(1) C(28) 126.7(2)
N(3) Cu(1) C(28) 120.7(2)
N(4) Cu(2) N(5) 93.00(18)
N(4) Cu(2) N(6) 95.5(2)
N(4) Cu(2) C(56) 117.9(2)
N(5) Cu(2) N(6) 96.3(2)
N(5) Cu(2) C(56) 124.8(2)
N(6) Cu(2) C(56) 122.1(2)
Cu(1) N(1) C(1) 114.0(4)
Cu(1) N(1) C(7) 128.9(5)
C(1) N(1) C(7) 116.1(6)
Cu(1) N(2) C(3) 113.8(5)
Cu(1) N(2) C(14) 126.2(4)
C(3) N(2) C(14) 118.7(6)
Cu(1) N(3) C(5) 109.8(5)
Cu(1) N(3) C(21) 121.9(5)
C(5) N(3) C(21) 120.5(5)
Cu(2) N(4) C(29) 109.9(3)
Cu(2) N(4) C(35) 115.3(3)
C(29) N(4) C(35) 114.4(4)
Cu(2) N(5) C(31) 111.1(4)
Cu(2) N(5) C(42) 121.0(3)
C(31) N(5) C(42) 108.9(4)
Cu(2) N(6) C(33) 112.6(4)
Cu(2) N(6) C(49) 129.9(5)
C(33) N(6) C(49) 117.4(7)
N(1) C(1) C(2) 113.6(7)
N(1) C(1) C(6) 99.8(8)
C(2) C(1) C(6) 116.0(6)
C(1) C(2) C(3) 117.8(6)
N(2) C(3) C(2) 94.6(6)
N(2) C(3) C(4) 116.4(6)
C(2) C(3) C(4) 108.0(6)
C(3) C(4) C(5) 119.5(6)
N(3) C(5) C(4) 93.9(6)
N(3) C(5) C(6) 114.3(6)
C(4) C(5) C(6) 117.0(7)
C(1) C(6) C(5) 119.5(7)
N(1) C(7) C(8) 119.2(6)
C(7) C(8) C(9) 119.3(5)
C(7) C(8) C(13) 122.3(5)
C(9) C(8) C(13) 118.4(5)
C(8) C(9) C(10) 117.9(6)
C(9) C(10) C(11) 122.5(7)
C(10) C(11) C(12) 120.1(7)
C(11) C(12) C(13) 120.0(7)
C(8) C(13) C(12) 121.0(7)
N(2) C(14) C(15) 113.3(5)
C(14) C(15) C(16) 120.2(5)
C(14) C(15) C(20) 121.9(6)
C(16) C(15) C(20) 117.9(5)
C(15) C(16) C(17) 123.5(6)
C(16) C(17) C(18) 117.0(7)
C(17) C(18) C(19) 121.8(6)
C(18) C(19) C(20) 119.0(6)
C(15) C(20) C(19) 120.6(6)
N(3) C(21) C(22) 113.3(5)
C(21) C(22) C(23) 119.4(6)
C(21) C(22) C(27) 120.2(5)
C(23) C(22) C(27) 120.5(6)
C(22) C(23) C(24) 117.1(7)
C(23) C(24) C(25) 121.5(6)
C(24) C(25) C(26) 118.5(7)
C(25) C(26) C(27) 120.7(9)
C(22) C(27) C(26) 121.6(7)
Cu(1) C(28) O(1) 176.3(6)
N(4) C(29) C(30) 112.8(5)
N(4) C(29) C(34) 109.0(4)
C(30) C(29) C(34) 112.2(5)
C(29) C(30) C(31) 114.7(4)
N(5) C(31) C(30) 108.4(4)
N(5) C(31) C(32) 111.1(4)
C(30) C(31) C(32) 113.8(5)
C(31) C(32) C(33) 115.4(6)
N(6) C(33) C(32) 109.8(6)
N(6) C(33) C(34) 109.4(7)
C(32) C(33) C(34) 110.9(5)
C(29) C(34) C(33) 114.4(5)
N(4) C(35) C(36) 117.9(5)
C(35) C(36) C(37) 121.7(5)
C(35) C(36) C(41) 118.5(4)
C(37) C(36) C(41) 119.7(5)
C(36) C(37) C(38) 120.0(6)
C(37) C(38) C(39) 121.5(6)
C(38) C(39) C(40) 118.8(6)
C(39) C(40) C(41) 121.7(7)
C(36) C(41) C(40) 118.2(6)
N(5) C(42) C(43) 109.8(4)
C(42) C(43) C(44) 120.7(5)
C(42) C(43) C(48) 122.3(4)
C(44) C(43) C(48) 117.0(5)
C(43) C(44) C(45) 119.6(6)
C(44) C(45) C(46) 122.4(5)
C(45) C(46) C(47) 117.5(5)
C(46) C(47) C(48) 121.5(6)
C(43) C(48) C(47) 121.9(5)
N(6) C(49) C(50) 121.9(7)
C(49) C(50) C(51) 122.4(7)
C(49) C(50) C(55) 120.9(6)
C(51) C(50) C(55) 116.7(6)
C(50) C(51) C(52) 122.0(9)
C(51) C(52) C(53) 119.9(9)
C(52) C(53) C(54) 121.3(9)
C(53) C(54) C(55) 116.4(8)
C(50) C(55) C(54) 123.6(7)
Cu(2) C(56) O(2) 179.0(5)
Cu(1) N(1) H(10) 93.8(6)
C(1) N(1) H(10) 95.9(9)
C(7) N(1) H(10) 90.4(7)
Cu(1) N(2) H(11) 94.5(7)
C(3) N(2) H(11) 92.4(7)
C(14) N(2) H(11) 94.3(9)
Cu(1) N(3) H(12) 99.6(7)
C(5) N(3) H(12) 98.1(8)
C(21) N(3) H(12) 100.2(9)
Cu(2) N(4) H(43) 105.1(3)
C(29) N(4) H(43) 106.4(5)
C(35) N(4) H(43) 104.9(5)
Cu(2) N(5) H(44) 105.3(4)
C(31) N(5) H(44) 105.6(5)
C(42) N(5) H(44) 103.5(6)
Cu(2) N(6) H(45) 89.7(7)
C(33) N(6) H(45) 88.8(6)
C(49) N(6) H(45) 88.0(7)
N(1) C(1) H(1) 110.7(7)
C(2) C(1) H(1) 108.4(10)
C(6) C(1) H(1) 108.2(10)
C(1) C(2) H(2) 108.5(8)
C(1) C(2) H(3) 108.4(9)
C(3) C(2) H(2) 105.6(10)
C(3) C(2) H(3) 106.9(9)
H(2) C(2) H(3) 109.5(9)
N(2) C(3) H(4) 111.7(9)
C(2) C(3) H(4) 113.3(9)
C(4) C(3) H(4) 111.7(8)
C(3) C(4) H(5) 104.8(9)
C(3) C(4) H(6) 108.6(10)
C(5) C(4) H(5) 108.5(9)
C(5) C(4) H(6) 105.8(9)
H(5) C(4) H(6) 109.5(9)
N(3) C(5) H(7) 108.7(8)
C(4) C(5) H(7) 111.5(7)
C(6) C(5) H(7) 110.3(9)
C(1) C(6) H(8) 109.2(9)
C(1) C(6) H(9) 104.9(8)
C(5) C(6) H(8) 106.3(8)
C(5) C(6) H(9) 107.2(9)
H(8) C(6) H(9) 109.5(11)
N(1) C(7) H(13) 100.9(7)
N(1) C(7) H(14) 112.3(7)
C(8) C(7) H(13) 106.8(6)
C(8) C(7) H(14) 107.5(6)
H(13) C(7) H(14) 109.5(9)
C(8) C(9) H(15) 120.3(6)
C(10) C(9) H(15) 121.8(7)
C(9) C(10) H(16) 117.3(8)
C(11) C(10) H(16) 120.1(7)
C(10) C(11) H(17) 119.5(10)
C(12) C(11) H(17) 120.3(10)
C(11) C(12) H(18) 119.8(9)
C(13) C(12) H(18) 120.0(9)
C(8) C(13) H(19) 119.4(7)
C(12) C(13) H(19) 119.6(7)
N(2) C(14) H(20) 107.6(7)
N(2) C(14) H(21) 109.3(6)
C(15) C(14) H(20) 107.5(5)
C(15) C(14) H(21) 109.5(7)
H(20) C(14) H(21) 109.5(7)
C(15) C(16) H(22) 118.0(7)
C(17) C(16) H(22) 118.5(8)
C(16) C(17) H(23) 122.4(7)
C(18) C(17) H(23) 120.5(7)
C(17) C(18) H(24) 119.0(9)
C(19) C(18) H(24) 119.1(8)
C(18) C(19) H(25) 120.2(8)
C(20) C(19) H(25) 120.7(8)
C(15) C(20) H(26) 119.0(6)
C(19) C(20) H(26) 120.4(6)
N(3) C(21) H(27) 109.1(7)
N(3) C(21) H(28) 107.6(8)
C(22) C(21) H(27) 108.9(7)
C(22) C(21) H(28) 108.4(6)
H(27) C(21) H(28) 109.5(7)
C(22) C(23) H(29) 121.5(8)
C(24) C(23) H(29) 121.4(7)
C(23) C(24) H(30) 119.5(10)
C(25) C(24) H(30) 119.0(10)
C(24) C(25) H(31) 120.4(10)
C(26) C(25) H(31) 121.0(11)
C(25) C(26) H(32) 118.2(10)
C(27) C(26) H(32) 121.0(10)
C(22) C(27) H(33) 119.4(9)
C(26) C(27) H(33) 119.0(10)
N(4) C(29) H(34) 106.9(6)
C(30) C(29) H(34) 107.7(6)
C(34) C(29) H(34) 108.0(7)
C(29) C(30) H(35) 107.0(6)
C(29) C(30) H(36) 108.8(7)
C(31) C(30) H(35) 108.8(7)
C(31) C(30) H(36) 108.0(6)
H(35) C(30) H(36) 109.5(7)
N(5) C(31) H(37) 108.3(7)
C(30) C(31) H(37) 107.5(6)
C(32) C(31) H(37) 107.6(7)
C(31) C(32) H(38) 108.5(9)
C(31) C(32) H(39) 107.1(7)
C(33) C(32) H(38) 108.4(7)
C(33) C(32) H(39) 107.8(8)
H(38) C(32) H(39) 109.5(9)
N(6) C(33) H(40) 110.6(6)
C(32) C(33) H(40) 108.1(9)
C(34) C(33) H(40) 108.0(8)
C(29) C(34) H(41) 108.6(6)
C(29) C(34) H(42) 107.2(7)
C(33) C(34) H(41) 109.6(7)
C(33) C(34) H(42) 107.4(6)
H(41) C(34) H(42) 109.5(9)
N(4) C(35) H(46) 107.5(6)
N(4) C(35) H(47) 107.3(6)
C(36) C(35) H(46) 107.1(5)
C(36) C(35) H(47) 107.3(6)
H(46) C(35) H(47) 109.5(8)
C(36) C(37) H(48) 119.5(6)
C(38) C(37) H(48) 120.4(6)
C(37) C(38) H(49) 119.4(9)
C(39) C(38) H(49) 119.1(9)
C(38) C(39) H(50) 120.3(9)
C(40) C(39) H(50) 120.8(9)
C(39) C(40) H(51) 119.0(8)
C(41) C(40) H(51) 119.2(8)
C(36) C(41) H(52) 120.7(7)
C(40) C(41) H(52) 121.0(8)
N(5) C(42) H(53) 110.7(5)
N(5) C(42) H(54) 108.5(6)
C(43) C(42) H(53) 109.7(6)
C(43) C(42) H(54) 108.7(5)
H(53) C(42) H(54) 109.5(7)
C(43) C(44) H(55) 119.7(6)
C(45) C(44) H(55) 120.7(6)
C(44) C(45) H(56) 118.6(8)
C(46) C(45) H(56) 119.0(7)
C(45) C(46) H(57) 120.5(6)
C(47) C(46) H(57) 122.0(8)
C(46) C(47) H(58) 118.0(6)
C(48) C(47) H(58) 120.5(6)
C(43) C(48) H(59) 118.6(6)
C(47) C(48) H(59) 119.5(7)
N(6) C(49) H(60) 102.9(9)
N(6) C(49) H(61) 110.5(8)
C(50) C(49) H(60) 106.6(8)
C(50) C(49) H(61) 105.0(8)
H(60) C(49) H(61) 109.5(12)
C(50) C(51) H(62) 118.8
C(52) C(51) H(62) 119.1
C(51) C(52) H(63) 120.7
C(53) C(52) H(63) 119.3
C(52) C(53) H(64) 121.2
C(54) C(53) H(64) 117.4
C(53) C(54) H(65) 122.3
C(55) C(54) H(65) 121.2
C(50) C(55) H(66) 118.7
C(54) C(55) H(66) 117.6
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sb(1) F(1) 1.844(3)
Sb(1) F(2) 1.864(4)
Sb(1) F(3) 1.804(6)
Sb(1) F(4) 1.831(6)
Sb(1) F(5) 1.834(4)
Sb(1) F(6) 1.820(6)
Sb(2) F(7) 1.859(2)
Sb(2) F(8) 1.865(3)
Sb(2) F(9) 1.861(4)
Sb(2) F(10) 1.866(4)
Sb(2) F(11) 1.869(3)
Sb(2) F(12) 1.862(4)
Cu(1) N(1) 2.023(7)
Cu(1) N(2) 2.038(8)
Cu(1) N(3) 2.114(7)
Cu(1) C(28) 1.813(5)
Cu(2) N(4) 2.120(4)
Cu(2) N(5) 2.036(5)
Cu(2) N(6) 2.024(7)
Cu(2) C(56) 1.777(6)
O(1) C(28) 1.129(7)
O(2) C(56) 1.152(7)
N(1) C(1) 1.546(9)
N(1) C(7) 1.339(8)
N(2) C(3) 1.592(9)
N(2) C(14) 1.410(10)
N(3) C(5) 1.652(10)
N(3) C(21) 1.403(12)
N(4) C(29) 1.515(7)
N(4) C(35) 1.453(8)
N(5) C(31) 1.583(7)
N(5) C(42) 1.501(7)
N(6) C(33) 1.521(8)
N(6) C(49) 1.285(8)
C(1) C(2) 1.470(12)
C(1) C(6) 1.409(13)
C(2) C(3) 1.588(13)
C(3) C(4) 1.483(12)
C(4) C(5) 1.526(11)
C(5) C(6) 1.391(12)
C(7) C(8) 1.517(7)
C(8) C(9) 1.371(9)
C(8) C(13) 1.382(8)
C(9) C(10) 1.352(8)
C(10) C(11) 1.335(11)
C(11) C(12) 1.322(13)
C(12) C(13) 1.338(9)
C(14) C(15) 1.508(7)
C(15) C(16) 1.400(10)
C(15) C(20) 1.346(7)
C(16) C(17) 1.348(9)
C(17) C(18) 1.366(10)
C(18) C(19) 1.378(11)
C(19) C(20) 1.387(9)
C(21) C(22) 1.524(8)
C(22) C(23) 1.393(8)
C(22) C(27) 1.392(11)
C(23) C(24) 1.425(11)
C(24) C(25) 1.426(13)
C(25) C(26) 1.363(12)
C(26) C(27) 1.375(12)
C(29) C(30) 1.502(9)
C(29) C(34) 1.524(9)
C(30) C(31) 1.504(8)
C(31) C(32) 1.463(11)
C(32) C(33) 1.544(11)
C(33) C(34) 1.560(10)
C(35) C(36) 1.496(7)
C(36) C(37) 1.333(7)
C(36) C(41) 1.383(9)
C(37) C(38) 1.395(9)
C(38) C(39) 1.318(11)
C(39) C(40) 1.356(10)
C(40) C(41) 1.384(9)
C(42) C(43) 1.474(7)
C(43) C(44) 1.359(7)
C(43) C(48) 1.364(8)
C(44) C(45) 1.395(8)
C(45) C(46) 1.371(10)
C(46) C(47) 1.305(7)
C(47) C(48) 1.397(8)
C(49) C(50) 1.472(9)
C(50) C(51) 1.328(11)
C(50) C(55) 1.349(11)
C(51) C(52) 1.329(14)
C(52) C(53) 1.330(17)
C(53) C(54) 1.348(14)
C(54) C(55) 1.349(11)
N(1) H(10) 0.950(16)
N(2) H(11) 0.950(14)
N(3) H(12) 0.950(13)
N(4) H(43) 0.950(7)
N(5) H(44) 0.950(8)
N(6) H(45) 0.950(12)
C(1) H(1) 0.950(12)
C(2) H(2) 0.950(10)
C(2) H(3) 0.950(10)
C(3) H(4) 0.950(11)
C(4) H(5) 0.950(11)
C(4) H(6) 0.950(8)
C(5) H(7) 0.950(10)
C(6) H(8) 0.950(11)
C(6) H(9) 0.950(10)
C(7) H(13) 0.950(9)
C(7) H(14) 0.950(9)
C(9) H(15) 0.950(8)
C(10) H(16) 0.950(11)
C(11) H(17) 0.950(11)
C(12) H(18) 0.950(10)
C(13) H(19) 0.950(10)
C(14) H(20) 0.950(9)
C(14) H(21) 0.950(8)
C(16) H(22) 0.950(9)
C(17) H(23) 0.950(11)
C(18) H(24) 0.950(9)
C(19) H(25) 0.950(9)
C(20) H(26) 0.950(9)
C(21) H(27) 0.950(9)
C(21) H(28) 0.950(9)
C(23) H(29) 0.950(11)
C(24) H(30) 0.950(10)
C(25) H(31) 0.950(11)
C(26) H(32) 0.950(14)
C(27) H(33) 0.950(10)
C(29) H(34) 0.950(7)
C(30) H(35) 0.950(9)
C(30) H(36) 0.950(7)
C(31) H(37) 0.950(9)
C(32) H(38) 0.950(9)
C(32) H(39) 0.950(9)
C(33) H(40) 0.950(11)
C(34) H(41) 0.950(9)
C(34) H(42) 0.950(9)
C(35) H(46) 0.950(9)
C(35) H(47) 0.950(8)
C(37) H(48) 0.950(9)
C(38) H(49) 0.950(8)
C(39) H(50) 0.950(9)
C(40) H(51) 0.950(12)
C(41) H(52) 0.950(8)
C(42) H(53) 0.950(7)
C(42) H(54) 0.950(8)
C(44) H(55) 0.950(10)
C(45) H(56) 0.950(8)
C(46) H(57) 0.950(8)
C(47) H(58) 0.950(9)
C(48) H(59) 0.950(7)
C(49) H(60) 0.950(14)
C(49) H(61) 0.950(13)
C(51) H(62) 0.950
C(52) H(63) 0.950
C(53) H(64) 0.950
C(54) H(65) 0.950
C(55) H(66) 0.950
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
F(1) N(5) 3.176(7) 55504
F(1) C(35) 3.579(7) 55504
F(1) C(48) 3.395(6) 55504
F(1) C(51) 3.386(10) .
F(2) N(3) 3.429(11) .
F(2) C(5) 3.214(9) .
F(2) C(6) 3.247(9) .
F(2) C(41) 3.214(7) .
F(3) N(5) 3.582(7) 55504
F(3) C(30) 3.591(8) 55504
F(3) C(31) 3.464(9) 55504
F(3) C(40) 3.465(9) 66603
F(4) N(4) 3.105(6) .
F(5) C(2) 3.564(8) 66603
F(5) C(37) 3.561(8) 55504
F(6) C(13) 3.447(9) .
F(7) N(2) 3.442(10) 55504
F(7) C(16) 3.593(6) 55504
F(7) C(27) 3.514(8) 55504
F(8) C(32) 3.477(7) .
F(8) C(34) 3.423(7) 65603
F(10) N(1) 3.578(12) 54501
F(10) C(9) 3.380(6) 54501
F(10) C(20) 3.391(8) 54501
F(11) C(29) 3.398(6) 65603
F(11) C(30) 3.596(7) 65603
F(11) C(34) 3.513(6) 65603
F(12) C(44) 3.363(8) .
F(12) C(55) 3.521(8) .
O(1) C(25) 3.565(10) 66703
O(3) O(4) 2.692(9) 55404
O(4) O(3) 2.692(9) 45604
O(4) C(52) 3.446(12) 45504
N(1) F(10) 3.578(12) 56501
N(2) F(7) 3.442(10) 45504
N(3) F(2) 3.429(11) .
N(4) F(4) 3.105(6) .
N(5) F(1) 3.176(7) 45504
N(5) F(3) 3.582(7) 45504
C(2) F(5) 3.564(8) 66603
C(5) F(2) 3.214(9) .
C(6) F(2) 3.247(9) .
C(9) F(10) 3.380(6) 56501
C(10) C(16) 3.406(11) 56504
C(10) C(17) 3.521(10) 56504
C(13) F(6) 3.447(9) .
C(16) F(7) 3.593(6) 45504
C(16) C(10) 3.406(11) 46504
C(17) C(10) 3.521(10) 46504
C(20) F(10) 3.391(8) 56501
C(25) O(1) 3.565(10) 66703
C(26) C(54) 3.536(13) 45504
C(27) F(7) 3.514(8) 45504
C(29) F(11) 3.398(6) 65603
C(30) F(3) 3.591(8) 45504
C(30) F(11) 3.596(7) 65603
C(31) F(3) 3.464(9) 45504
C(32) F(8) 3.477(7) .
C(34) F(8) 3.423(7) 65603
C(34) F(11) 3.513(6) 65603
C(35) F(1) 3.579(7) 45504
C(37) F(5) 3.561(8) 45504
C(40) F(3) 3.465(9) 66603
C(41) F(2) 3.214(7) .
C(44) F(12) 3.363(8) .
C(48) F(1) 3.395(6) 45504
C(51) F(1) 3.386(10) .
C(52) O(4) 3.446(12) 55504
C(54) C(26) 3.536(13) 55504
C(55) F(12) 3.521(8) .
Sb(1) H(44) 3.548(5) 55504
Sb(1) H(52) 3.599(6) .
Sb(2) H(38) 3.567(7) .
Sb(2) H(41) 3.522(5) 65603
F(1) H(35) 3.000(8) 55504
F(1) H(44) 2.228(7) 55504
F(1) H(46) 2.633(7) 55504
F(1) H(48) 3.350(7) 55504
F(1) H(53) 3.531(7) 55504
F(1) H(59) 2.490(6) 55504
F(1) H(62) 2.544 .
F(2) H(7) 2.779(8) .
F(2) H(8) 3.370(9) .
F(2) H(8) 2.787(10) 66603
F(2) H(9) 2.652(9) .
F(2) H(12) 2.698(11) .
F(2) H(28) 3.413(9) .
F(2) H(51) 3.503(8) .
F(2) H(52) 2.320(7) .
F(3) H(6) 3.164(10) 66603
F(3) H(7) 3.377(9) 66603
F(3) H(8) 3.582(8) 66603
F(3) H(9) 3.599(10) .
F(3) H(35) 3.034(8) 55504
F(3) H(37) 2.882(9) 55504
F(3) H(44) 2.990(6) 55504
F(3) H(50) 3.269(9) 66603
F(3) H(51) 2.687(9) 66603
F(3) H(53) 3.105(6) 55504
F(4) H(29) 2.791(10) .
F(4) H(42) 3.471(8) .
F(4) H(43) 2.264(6) .
F(4) H(45) 3.251(11) .
F(4) H(47) 3.249(8) .
F(4) H(52) 3.140(7) .
F(4) H(62) 3.412 .
F(5) H(3) 2.805(8) 66603
F(5) H(6) 3.146(9) 66603
F(5) H(8) 2.899(8) 66603
F(5) H(35) 3.368(8) 55504
F(5) H(42) 2.750(8) .
F(5) H(43) 3.106(8) .
F(5) H(45) 3.557(10) .
F(5) H(48) 2.625(8) 55504
F(5) H(52) 3.517(9) .
F(6) H(9) 3.359(9) .
F(6) H(12) 3.051(11) .
F(6) H(13) 3.032(9) .
F(6) H(19) 2.763(8) .
F(6) H(29) 3.344(10) .
F(6) H(53) 3.581(9) 55504
F(6) H(59) 3.058(8) 55504
F(7) H(5) 2.938(9) 55504
F(7) H(11) 2.505(10) 55504
F(7) H(21) 3.275(7) 55504
F(7) H(22) 2.695(7) 55504
F(7) H(27) 2.894(8) 55504
F(7) H(33) 2.603(7) 55504
F(8) H(2) 2.923(8) 54501
F(8) H(3) 3.525(8) 54501
F(8) H(20) 3.562(7) 54501
F(8) H(38) 2.701(8) .
F(8) H(39) 3.428(7) .
F(8) H(41) 2.494(7) 65603
F(8) H(49) 2.906(7) 54602
F(8) H(54) 3.239(7) .
F(9) H(5) 2.893(8) 55504
F(9) H(27) 3.044(7) 55504
F(9) H(36) 2.754(7) 65603
F(9) H(38) 3.222(9) .
F(9) H(39) 3.144(7) 65603
F(9) H(40) 3.308(9) .
F(9) H(41) 3.471(6) 65603
F(9) H(60) 2.955(10) .
F(10) H(2) 2.804(7) 54501
F(10) H(10) 2.634(12) 54501
F(10) H(14) 3.482(7) 54501
F(10) H(15) 2.486(6) 54501
F(10) H(20) 2.938(7) 54501
F(10) H(26) 2.535(8) 54501
F(11) H(1) 2.975(11) 54501
F(11) H(2) 3.301(10) 54501
F(11) H(4) 3.186(9) 55504
F(11) H(5) 3.581(8) 55504
F(11) H(10) 3.324(10) 54501
F(11) H(14) 2.933(7) 54501
F(11) H(34) 2.814(6) 65603
F(11) H(36) 2.921(7) 65603
F(11) H(41) 2.802(6) 65603
F(12) H(38) 2.879(7) .
F(12) H(54) 2.764(6) .
F(12) H(55) 2.482(8) .
F(12) H(60) 2.846(10) .
F(12) H(66) 2.652 .
O(1) H(31) 2.822(11) 66703
O(1) H(32) 3.371(10) 66703
O(1) H(64) 3.448 65702
O(1) H(65) 3.592 65702
O(2) H(24) 3.005(10) 66703
O(2) H(30) 2.828(9) .
O(3) H(23) 3.430(9) 66603
O(3) H(25) 3.594(9) 64602
O(3) H(32) 3.091(11) 66603
O(3) H(56) 3.174(8) 65602
O(3) H(65) 3.314 65602
O(4) H(23) 3.374(10) 54702
O(4) H(25) 3.507(7) 66703
O(4) H(30) 2.903(8) 45504
O(4) H(58) 2.895(7) .
O(4) H(63) 3.166 45504
O(4) H(64) 3.472 45504
C(2) H(41) 3.600(11) 66603
C(2) H(49) 3.141(10) 55602
C(3) H(49) 3.526(11) 55602
C(4) H(36) 3.352(7) 55602
C(5) H(51) 3.502(10) .
C(6) H(51) 3.417(13) 66603
C(8) H(21) 3.439(9) 56504
C(9) H(22) 3.429(9) 56504
C(10) H(22) 3.384(11) 56504
C(10) H(23) 3.587(10) 56504
C(10) H(64) 3.471 65702
C(11) H(56) 3.529(10) 65702
C(11) H(57) 3.248(9) 65702
C(11) H(65) 3.313 65702
C(12) H(56) 3.586(9) 65702
C(12) H(57) 3.345(8) 65702
C(13) H(53) 3.554(10) 55504
C(16) H(16) 3.358(11) 46504
C(17) H(16) 3.224(11) 46504
C(17) H(30) 3.413(11) 66703
C(17) H(31) 3.014(11) 66703
C(18) H(30) 3.488(12) 66703
C(18) H(31) 3.214(11) 66703
C(18) H(57) 3.509(10) 66703
C(18) H(58) 3.532(9) 66703
C(18) H(64) 3.238 65702
C(19) H(57) 3.121(10) 66703
C(19) H(58) 3.238(9) 66703
C(19) H(64) 3.305 65702
C(23) H(47) 3.386(8) .
C(24) H(23) 3.375(10) 66703
C(24) H(24) 3.355(11) 66703
C(25) H(23) 3.338(10) 66703
C(25) H(24) 3.406(12) 66703
C(25) H(31) 3.571(12) 66703
C(25) H(32) 3.226(11) 66703
C(26) H(31) 3.165(11) 66703
C(26) H(65) 3.486 45504
C(30) H(6) 3.219(7) 54602
C(31) H(50) 3.470(10) 54602
C(32) H(39) 3.473(11) 65603
C(34) H(3) 3.364(11) 66603
C(34) H(49) 3.347(11) 55504
C(35) H(62) 3.295 45504
C(36) H(28) 3.431(8) .
C(36) H(61) 3.392(11) 45504
C(37) H(3) 3.492(9) 54602
C(37) H(4) 3.451(9) 54602
C(37) H(61) 3.005(11) 45504
C(38) H(3) 3.261(10) 54602
C(38) H(4) 3.234(11) 54602
C(38) H(40) 3.289(12) 45504
C(38) H(61) 3.594(12) 45504
C(39) H(37) 3.277(9) 55602
C(40) H(1) 3.557(13) 66603
C(40) H(7) 3.064(10) .
C(40) H(8) 3.540(13) 66603
C(40) H(28) 3.513(9) .
C(41) H(7) 3.310(9) .
C(41) H(8) 3.587(12) 66603
C(41) H(28) 2.950(9) .
C(42) H(19) 3.401(9) 45504
C(42) H(50) 3.546(8) 54602
C(43) H(18) 3.352(10) 45504
C(43) H(19) 3.293(8) 45504
C(44) H(18) 3.384(11) 45504
C(45) H(17) 3.200(10) 64702
C(45) H(18) 3.290(10) 45504
C(45) H(57) 3.156(10) 65703
C(46) H(17) 3.118(9) 64702
C(46) H(18) 3.531(8) 64702
C(46) H(18) 3.199(9) 45504
C(46) H(25) 3.421(10) 66703
C(46) H(56) 3.256(10) 65703
C(46) H(57) 3.459(9) 65703
C(47) H(18) 3.123(10) 45504
C(47) H(24) 3.572(9) 66703
C(47) H(25) 3.284(10) 66703
C(47) H(63) 3.223 45504
C(48) H(18) 3.167(10) 45504
C(48) H(19) 3.292(9) 45504
C(48) H(63) 3.458 45504
C(51) H(46) 3.531(12) 55504
C(52) H(24) 3.417(10) 64702
C(52) H(58) 3.512(12) 55504
C(53) H(24) 3.340(11) 64702
C(54) H(17) 3.349(13) 64702
C(54) H(32) 3.503(13) 55504
C(56) H(30) 3.600(10) .
H(1) F(11) 2.975(11) 56501
H(1) C(40) 3.557(13) 66603
H(1) H(34) 3.177(11) 66603
H(1) H(41) 3.537(12) 66603
H(1) H(51) 3.457(13) 66603
H(2) F(8) 2.923(8) 56501
H(2) F(10) 2.804(7) 56501
H(2) F(11) 3.301(10) 56501
H(2) H(41) 3.470(11) 66603
H(2) H(49) 3.013(10) 55602
H(3) F(5) 2.805(8) 66603
H(3) F(8) 3.525(8) 56501
H(3) C(34) 3.364(11) 66603
H(3) C(37) 3.492(9) 55602
H(3) C(38) 3.261(10) 55602
H(3) H(41) 2.961(11) 66603
H(3) H(42) 2.897(11) 66603
H(3) H(48) 3.050(9) 55602
H(3) H(49) 2.573(10) 55602
H(4) F(11) 3.186(9) 45504
H(4) C(37) 3.451(9) 55602
H(4) C(38) 3.234(11) 55602
H(4) H(36) 3.497(9) 55602
H(4) H(48) 3.398(10) 55602
H(4) H(49) 3.011(12) 55602
H(5) F(7) 2.938(9) 45504
H(5) F(9) 2.893(8) 45504
H(5) F(11) 3.581(8) 45504
H(5) H(36) 3.273(7) 55602
H(6) F(3) 3.164(10) 66603
H(6) F(5) 3.146(9) 66603
H(6) C(30) 3.219(7) 55602
H(6) H(35) 2.937(8) 55602
H(6) H(36) 2.647(8) 55602
H(7) F(2) 2.779(8) .
H(7) F(3) 3.377(9) 66603
H(7) C(40) 3.064(10) .
H(7) C(41) 3.310(9) .
H(7) H(51) 2.565(10) .
H(7) H(52) 3.022(9) .
H(8) F(2) 3.370(9) .
H(8) F(2) 2.787(10) 66603
H(8) F(3) 3.582(8) 66603
H(8) F(5) 2.899(8) 66603
H(8) C(40) 3.540(13) 66603
H(8) C(41) 3.587(12) 66603
H(8) H(51) 3.024(12) 66603
H(8) H(52) 3.169(12) 66603
H(9) F(2) 2.652(9) .
H(9) F(3) 3.599(10) .
H(9) F(6) 3.359(9) .
H(9) H(51) 2.992(13) 66603
H(10) F(10) 2.634(12) 56501
H(10) F(11) 3.324(10) 56501
H(11) F(7) 2.505(10) 45504
H(12) F(2) 2.698(11) .
H(12) F(6) 3.051(11) .
H(12) H(52) 3.541(10) .
H(13) F(6) 3.032(9) .
H(13) H(51) 3.360(10) 66603
H(14) F(10) 3.482(7) 56501
H(14) F(11) 2.933(7) 56501
H(14) H(21) 3.026(8) 56504
H(15) F(10) 2.486(6) 56501
H(15) H(22) 3.433(9) 56504
H(16) C(16) 3.358(11) 56504
H(16) C(17) 3.224(11) 56504
H(16) H(22) 3.273(11) 56504
H(16) H(23) 3.049(10) 56504
H(16) H(64) 2.924 65702
H(17) C(45) 3.200(10) 65702
H(17) C(46) 3.118(9) 65702
H(17) C(54) 3.349(13) 65702
H(17) H(56) 2.862(11) 65702
H(17) H(57) 2.704(9) 65702
H(17) H(64) 3.564 65702
H(17) H(65) 2.750 65702
H(18) C(43) 3.352(10) 55504
H(18) C(44) 3.384(11) 55504
H(18) C(45) 3.290(10) 55504
H(18) C(46) 3.531(8) 65702
H(18) C(46) 3.199(9) 55504
H(18) C(47) 3.123(10) 55504
H(18) C(48) 3.167(10) 55504
H(18) H(56) 3.001(10) 65702
H(18) H(57) 2.845(8) 65702
H(18) H(58) 3.547(10) 55504
H(18) H(59) 3.592(10) 55504
H(19) F(6) 2.763(8) .
H(19) C(42) 3.401(9) 55504
H(19) C(43) 3.293(8) 55504
H(19) C(48) 3.292(9) 55504
H(19) H(53) 2.708(10) 55504
H(19) H(59) 3.221(9) 55504
H(20) F(8) 3.562(7) 56501
H(20) F(10) 2.938(7) 56501
H(21) F(7) 3.275(7) 45504
H(21) C(8) 3.439(9) 46504
H(21) H(14) 3.026(8) 46504
H(22) F(7) 2.695(7) 45504
H(22) C(9) 3.429(9) 46504
H(22) C(10) 3.384(11) 46504
H(22) H(15) 3.433(9) 46504
H(22) H(16) 3.273(11) 46504
H(23) O(3) 3.430(9) 66603
H(23) O(4) 3.374(10) 55702
H(23) C(10) 3.587(10) 46504
H(23) C(24) 3.375(10) 66703
H(23) C(25) 3.338(10) 66703
H(23) H(16) 3.049(10) 46504
H(23) H(30) 2.757(11) 66703
H(23) H(31) 2.697(11) 66703
H(24) O(2) 3.005(10) 66703
H(24) C(24) 3.355(11) 66703
H(24) C(25) 3.406(12) 66703
H(24) C(47) 3.572(9) 66703
H(24) C(52) 3.417(10) 65702
H(24) C(53) 3.340(11) 65702
H(24) H(30) 2.883(12) 66703
H(24) H(31) 3.020(12) 66703
H(24) H(57) 3.550(10) 66703
H(24) H(58) 3.130(9) 66703
H(24) H(63) 2.934 65702
H(24) H(64) 2.868 65702
H(25) O(3) 3.594(9) 65602
H(25) O(4) 3.507(7) 66703
H(25) C(46) 3.421(10) 66703
H(25) C(47) 3.284(10) 66703
H(25) H(57) 2.898(10) 66703
H(25) H(58) 2.561(9) 66703
H(25) H(63) 3.510 65702
H(25) H(64) 2.995 65702
H(26) F(10) 2.535(8) 56501
H(26) H(55) 3.574(9) 56501
H(27) F(7) 2.894(8) 45504
H(27) F(9) 3.044(7) 45504
H(27) H(60) 3.448(11) 45504
H(28) F(2) 3.413(9) .
H(28) C(36) 3.431(8) .
H(28) C(40) 3.513(9) .
H(28) C(41) 2.950(9) .
H(28) H(47) 3.098(8) .
H(28) H(52) 2.739(10) .
H(29) F(4) 2.791(10) .
H(29) F(6) 3.344(10) .
H(29) H(47) 2.861(8) .
H(30) O(2) 2.828(9) .
H(30) O(4) 2.903(8) 55504
H(30) C(17) 3.413(11) 66703
H(30) C(18) 3.488(12) 66703
H(30) C(56) 3.600(10) .
H(30) H(23) 2.757(11) 66703
H(30) H(24) 2.883(12) 66703
H(31) O(1) 2.822(11) 66703
H(31) C(17) 3.014(11) 66703
H(31) C(18) 3.214(11) 66703
H(31) C(25) 3.571(12) 66703
H(31) C(26) 3.165(11) 66703
H(31) H(23) 2.697(11) 66703
H(31) H(24) 3.020(12) 66703
H(31) H(31) 3.458(12) 66703
H(31) H(32) 2.720(11) 66703
H(31) H(64) 3.586 45504
H(32) O(1) 3.371(10) 66703
H(32) O(3) 3.091(11) 66603
H(32) C(25) 3.226(11) 66703
H(32) C(54) 3.503(13) 45504
H(32) H(31) 2.720(11) 66703
H(32) H(65) 3.199 45504
H(33) F(7) 2.603(7) 45504
H(34) F(11) 2.814(6) 65603
H(34) H(1) 3.177(11) 66603
H(35) F(1) 3.000(8) 45504
H(35) F(3) 3.034(8) 45504
H(35) F(5) 3.368(8) 45504
H(35) H(6) 2.937(8) 54602
H(36) F(9) 2.754(7) 65603
H(36) F(11) 2.921(7) 65603
H(36) C(4) 3.352(7) 54602
H(36) H(4) 3.497(9) 54602
H(36) H(5) 3.273(7) 54602
H(36) H(6) 2.647(8) 54602
H(37) F(3) 2.882(9) 45504
H(37) C(39) 3.277(9) 54602
H(37) H(50) 2.571(10) 54602
H(38) Sb(2) 3.567(7) .
H(38) F(8) 2.701(8) .
H(38) F(9) 3.222(9) .
H(38) F(12) 2.879(7) .
H(38) H(39) 3.576(11) 65603
H(39) F(8) 3.428(7) .
H(39) F(9) 3.144(7) 65603
H(39) C(32) 3.473(11) 65603
H(39) H(38) 3.576(11) 65603
H(39) H(39) 2.755(11) 65603
H(39) H(40) 3.151(11) 65603
H(40) F(9) 3.308(9) .
H(40) C(38) 3.289(12) 55504
H(40) H(39) 3.151(11) 65603
H(40) H(49) 3.032(12) 55504
H(41) Sb(2) 3.522(5) 65603
H(41) F(8) 2.494(7) 65603
H(41) F(9) 3.471(6) 65603
H(41) F(11) 2.802(6) 65603
H(41) C(2) 3.600(11) 66603
H(41) H(1) 3.537(12) 66603
H(41) H(2) 3.470(11) 66603
H(41) H(3) 2.961(11) 66603
H(41) H(49) 2.905(10) 55504
H(42) F(4) 3.471(8) .
H(42) F(5) 2.750(8) .
H(42) H(3) 2.897(11) 66603
H(42) H(48) 3.061(9) 55504
H(42) H(49) 3.132(11) 55504
H(43) F(4) 2.264(6) .
H(43) F(5) 3.106(8) .
H(44) Sb(1) 3.548(5) 45504
H(44) F(1) 2.228(7) 45504
H(44) F(3) 2.990(6) 45504
H(45) F(4) 3.251(11) .
H(45) F(5) 3.557(10) .
H(45) H(48) 3.438(10) 55504
H(46) F(1) 2.633(7) 45504
H(46) C(51) 3.531(12) 45504
H(46) H(61) 3.441(11) 45504
H(46) H(62) 2.696 45504
H(47) F(4) 3.249(8) .
H(47) C(23) 3.386(8) .
H(47) H(28) 3.098(8) .
H(47) H(29) 2.861(8) .
H(47) H(62) 3.093 45504
H(48) F(1) 3.350(7) 45504
H(48) F(5) 2.625(8) 45504
H(48) H(3) 3.050(9) 54602
H(48) H(4) 3.398(10) 54602
H(48) H(42) 3.061(9) 45504
H(48) H(45) 3.438(10) 45504
H(48) H(61) 2.837(11) 45504
H(48) H(62) 3.479 45504
H(49) F(8) 2.906(7) 55602
H(49) C(2) 3.141(10) 54602
H(49) C(3) 3.526(11) 54602
H(49) C(34) 3.347(11) 45504
H(49) H(2) 3.013(10) 54602
H(49) H(3) 2.573(10) 54602
H(49) H(4) 3.011(12) 54602
H(49) H(40) 3.032(12) 45504
H(49) H(41) 2.905(10) 45504
H(49) H(42) 3.132(11) 45504
H(50) F(3) 3.269(9) 66603
H(50) C(31) 3.470(10) 55602
H(50) C(42) 3.546(8) 55602
H(50) H(37) 2.571(10) 55602
H(50) H(53) 2.888(9) 55602
H(50) H(54) 3.456(8) 55602
H(51) F(2) 3.503(8) .
H(51) F(3) 2.687(9) 66603
H(51) C(5) 3.502(10) .
H(51) C(6) 3.417(13) 66603
H(51) H(1) 3.457(13) 66603
H(51) H(7) 2.565(10) .
H(51) H(8) 3.024(12) 66603
H(51) H(9) 2.992(13) 66603
H(51) H(13) 3.360(10) 66603
H(52) Sb(1) 3.599(6) .
H(52) F(2) 2.320(7) .
H(52) F(4) 3.140(7) .
H(52) F(5) 3.517(9) .
H(52) H(7) 3.022(9) .
H(52) H(8) 3.169(12) 66603
H(52) H(12) 3.541(10) .
H(52) H(28) 2.739(10) .
H(53) F(1) 3.531(7) 45504
H(53) F(3) 3.105(6) 45504
H(53) F(6) 3.581(9) 45504
H(53) C(13) 3.554(10) 45504
H(53) H(19) 2.708(10) 45504
H(53) H(50) 2.888(9) 54602
H(54) F(8) 3.239(7) .
H(54) F(12) 2.764(6) .
H(54) H(50) 3.456(8) 54602
H(55) F(12) 2.482(8) .
H(55) H(26) 3.574(9) 54501
H(56) O(3) 3.174(8) 64602
H(56) C(11) 3.529(10) 64702
H(56) C(12) 3.586(9) 64702
H(56) C(46) 3.256(10) 65703
H(56) H(17) 2.862(11) 64702
H(56) H(18) 3.001(10) 64702
H(56) H(57) 2.886(10) 65703
H(57) C(11) 3.248(9) 64702
H(57) C(12) 3.345(8) 64702
H(57) C(18) 3.509(10) 66703
H(57) C(19) 3.121(10) 66703
H(57) C(45) 3.156(10) 65703
H(57) C(46) 3.459(9) 65703
H(57) H(17) 2.704(9) 64702
H(57) H(18) 2.845(8) 64702
H(57) H(24) 3.550(10) 66703
H(57) H(25) 2.898(10) 66703
H(57) H(56) 2.886(10) 65703
H(57) H(57) 3.451(9) 65703
H(58) O(4) 2.895(7) .
H(58) C(18) 3.532(9) 66703
H(58) C(19) 3.238(9) 66703
H(58) C(52) 3.512(12) 45504
H(58) H(18) 3.547(10) 45504
H(58) H(24) 3.130(9) 66703
H(58) H(25) 2.561(9) 66703
H(58) H(63) 2.621 45504
H(59) F(1) 2.490(6) 45504
H(59) F(6) 3.058(8) 45504
H(59) H(18) 3.592(10) 45504
H(59) H(19) 3.221(9) 45504
H(59) H(63) 3.087 45504
H(60) F(9) 2.955(10) .
H(60) F(12) 2.846(10) .
H(60) H(27) 3.448(11) 55504
H(61) C(36) 3.392(11) 55504
H(61) C(37) 3.005(11) 55504
H(61) C(38) 3.594(12) 55504
H(61) H(46) 3.441(11) 55504
H(61) H(48) 2.837(11) 55504
H(62) F(1) 2.544 .
H(62) F(4) 3.412 .
H(62) C(35) 3.295 55504
H(62) H(46) 2.696 55504
H(62) H(47) 3.093 55504
H(62) H(48) 3.479 55504
H(63) O(4) 3.166 55504
H(63) C(47) 3.223 55504
H(63) C(48) 3.458 55504
H(63) H(24) 2.934 64702
H(63) H(25) 3.510 64702
H(63) H(58) 2.621 55504
H(63) H(59) 3.087 55504
H(64) O(1) 3.448 64702
H(64) O(4) 3.472 55504
H(64) C(10) 3.471 64702
H(64) C(18) 3.238 64702
H(64) C(19) 3.305 64702
H(64) H(16) 2.924 64702
H(64) H(17) 3.564 64702
H(64) H(24) 2.868 64702
H(64) H(25) 2.995 64702
H(64) H(31) 3.586 55504
H(65) O(1) 3.592 64702
H(65) O(3) 3.314 64602
H(65) C(11) 3.313 64702
H(65) C(26) 3.486 55504
H(65) H(17) 2.750 64702
H(65) H(32) 3.199 55504
H(66) F(12) 2.652 .
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
N(1) Cu(1) N(2) C(3) 58.6(6)
N(1) Cu(1) N(2) C(14) -108.1(8)
N(2) Cu(1) N(1) C(1) -40.4(7)
N(2) Cu(1) N(1) C(7) 151.5(9)
N(1) Cu(1) N(3) C(5) -36.6(6)
N(1) Cu(1) N(3) C(21) 174.2(6)
N(3) Cu(1) N(1) C(1) 54.6(8)
N(3) Cu(1) N(1) C(7) -113.5(9)
N(1) Cu(1) C(28) O(1) -52(9)
C(28) Cu(1) N(1) C(1) -177.3(6)
C(28) Cu(1) N(1) C(7) 14.6(11)
N(2) Cu(1) N(3) C(5) 56.3(6)
N(2) Cu(1) N(3) C(21) -93.0(6)
N(3) Cu(1) N(2) C(3) -33.4(6)
N(3) Cu(1) N(2) C(14) 159.8(8)
N(2) Cu(1) C(28) O(1) -174(8)
C(28) Cu(1) N(2) C(3) -168.2(5)
C(28) Cu(1) N(2) C(14) 25.1(9)
N(3) Cu(1) C(28) O(1) 62(9)
C(28) Cu(1) N(3) C(5) -165.2(4)
C(28) Cu(1) N(3) C(21) 45.6(8)
N(4) Cu(2) N(5) C(31) 51.6(3)
N(4) Cu(2) N(5) C(42) -178.7(4)
N(5) Cu(2) N(4) C(29) -49.0(4)
N(5) Cu(2) N(4) C(35) 82.0(3)
N(4) Cu(2) N(6) C(33) -46.8(6)
N(4) Cu(2) N(6) C(49) 129.0(9)
N(6) Cu(2) N(4) C(29) 47.6(4)
N(6) Cu(2) N(4) C(35) 178.6(4)
N(4) Cu(2) C(56) O(2) -144(37)
C(56) Cu(2) N(4) C(29) 178.5(4)
C(56) Cu(2) N(4) C(35) -50.5(4)
N(5) Cu(2) N(6) C(33) 46.8(6)
N(5) Cu(2) N(6) C(49) -137.4(9)
N(6) Cu(2) N(5) C(31) -44.3(4)
N(6) Cu(2) N(5) C(42) 85.4(5)
N(5) Cu(2) C(56) O(2) 100(37)
C(56) Cu(2) N(5) C(31) 179.0(3)
C(56) Cu(2) N(5) C(42) -51.4(5)
N(6) Cu(2) C(56) O(2) -27(38)
C(56) Cu(2) N(6) C(33) -174.8(5)
C(56) Cu(2) N(6) C(49) 1.0(11)
Cu(1) N(1) C(1) C(2) 50.0(10)
Cu(1) N(1) C(1) C(6) -74.0(8)
Cu(1) N(1) C(7) C(8) -23.4(12)
C(1) N(1) C(7) C(8) 168.7(7)
C(7) N(1) C(1) C(2) -140.3(8)
C(7) N(1) C(1) C(6) 95.7(10)
Cu(1) N(2) C(3) C(2) -73.5(6)
Cu(1) N(2) C(3) C(4) 39.2(9)
Cu(1) N(2) C(14) C(15) -19.9(10)
C(3) N(2) C(14) C(15) 174.0(6)
C(14) N(2) C(3) C(2) 94.3(8)
C(14) N(2) C(3) C(4) -153.0(7)
Cu(1) N(3) C(5) C(4) -75.4(6)
Cu(1) N(3) C(5) C(6) 46.6(8)
Cu(1) N(3) C(21) C(22) -41.2(8)
C(5) N(3) C(21) C(22) 172.7(6)
C(21) N(3) C(5) C(4) 74.4(8)
C(21) N(3) C(5) C(6) -163.7(7)
Cu(2) N(4) C(29) C(30) 62.0(5)
Cu(2) N(4) C(29) C(34) -63.3(5)
Cu(2) N(4) C(35) C(36) -175.0(3)
C(29) N(4) C(35) C(36) -46.2(6)
C(35) N(4) C(29) C(30) -69.5(6)
C(35) N(4) C(29) C(34) 165.2(5)
Cu(2) N(5) C(31) C(30) -66.3(5)
Cu(2) N(5) C(31) C(32) 59.5(5)
Cu(2) N(5) C(42) C(43) 42.0(6)
C(31) N(5) C(42) C(43) 172.6(4)
C(42) N(5) C(31) C(30) 158.0(5)
C(42) N(5) C(31) C(32) -76.3(6)
Cu(2) N(6) C(33) C(32) -60.8(8)
Cu(2) N(6) C(33) C(34) 61.1(7)
Cu(2) N(6) C(49) C(50) 2.5(15)
C(33) N(6) C(49) C(50) 178.1(8)
C(49) N(6) C(33) C(32) 122.8(9)
C(49) N(6) C(33) C(34) -115.3(9)
N(1) C(1) C(2) C(3) -73.2(9)
N(1) C(1) C(6) C(5) 83.8(7)
C(2) C(1) C(6) C(5) -38.5(10)
C(6) C(1) C(2) C(3) 41.5(9)
C(1) C(2) C(3) N(2) 80.6(7)
C(1) C(2) C(3) C(4) -39.1(8)
N(2) C(3) C(4) C(5) -69.7(10)
C(2) C(3) C(4) C(5) 35.1(8)
C(3) C(4) C(5) N(3) 85.1(7)
C(3) C(4) C(5) C(6) -34.7(10)
N(3) C(5) C(6) C(1) -74.0(8)
C(4) C(5) C(6) C(1) 34.3(9)
N(1) C(7) C(8) C(9) -55.1(10)
N(1) C(7) C(8) C(13) 124.0(8)
C(7) C(8) C(9) C(10) 179.4(6)
C(7) C(8) C(13) C(12) -177.6(6)
C(9) C(8) C(13) C(12) 1.4(10)
C(13) C(8) C(9) C(10) 0.3(9)
C(8) C(9) C(10) C(11) -2.1(11)
C(9) C(10) C(11) C(12) 2.0(13)
C(10) C(11) C(12) C(13) -0.2(10)
C(11) C(12) C(13) C(8) -1.6(12)
N(2) C(14) C(15) C(16) -74.8(8)
N(2) C(14) C(15) C(20) 106.8(8)
C(14) C(15) C(16) C(17) 179.6(6)
C(14) C(15) C(20) C(19) 178.8(6)
C(16) C(15) C(20) C(19) 0.4(9)
C(20) C(15) C(16) C(17) -2.0(10)
C(15) C(16) C(17) C(18) -0.4(9)
C(16) C(17) C(18) C(19) 4.4(11)
C(17) C(18) C(19) C(20) -5.9(11)
C(18) C(19) C(20) C(15) 3.4(10)
N(3) C(21) C(22) C(23) -83.2(8)
N(3) C(21) C(22) C(27) 98.2(8)
C(21) C(22) C(23) C(24) -179.1(5)
C(21) C(22) C(27) C(26) -178.4(7)
C(23) C(22) C(27) C(26) 2.9(11)
C(27) C(22) C(23) C(24) -0.4(9)
C(22) C(23) C(24) C(25) -0.5(10)
C(23) C(24) C(25) C(26) -1.0(12)
C(24) C(25) C(26) C(27) 3.4(13)
C(25) C(26) C(27) C(22) -4.5(13)
N(4) C(29) C(30) C(31) -74.3(6)
N(4) C(29) C(34) C(33) 77.7(6)
C(30) C(29) C(34) C(33) -48.0(6)
C(34) C(29) C(30) C(31) 49.3(6)
C(29) C(30) C(31) N(5) 73.8(7)
C(29) C(30) C(31) C(32) -50.3(7)
N(5) C(31) C(32) C(33) -73.4(6)
C(30) C(31) C(32) C(33) 49.2(7)
C(31) C(32) C(33) N(6) 74.3(7)
C(31) C(32) C(33) C(34) -46.7(7)
N(6) C(33) C(34) C(29) -75.3(6)
C(32) C(33) C(34) C(29) 46.0(7)
N(4) C(35) C(36) C(37) 115.8(6)
N(4) C(35) C(36) C(41) -62.7(7)
C(35) C(36) C(37) C(38) -179.4(6)
C(35) C(36) C(41) C(40) -179.3(6)
C(37) C(36) C(41) C(40) 2.2(10)
C(41) C(36) C(37) C(38) -1.0(10)
C(36) C(37) C(38) C(39) 0.9(12)
C(37) C(38) C(39) C(40) -2.1(13)
C(38) C(39) C(40) C(41) 3.5(13)
C(39) C(40) C(41) C(36) -3.5(12)
N(5) C(42) C(43) C(44) -120.2(6)
N(5) C(42) C(43) C(48) 60.4(7)
C(42) C(43) C(44) C(45) 179.1(6)
C(42) C(43) C(48) C(47) -177.4(5)
C(44) C(43) C(48) C(47) 3.1(9)
C(48) C(43) C(44) C(45) -1.5(9)
C(43) C(44) C(45) C(46) -0.6(10)
C(44) C(45) C(46) C(47) 1.1(10)
C(45) C(46) C(47) C(48) 0.5(10)
C(46) C(47) C(48) C(43) -2.7(10)
N(6) C(49) C(50) C(51) -105.6(11)
N(6) C(49) C(50) C(55) 75.6(12)
C(49) C(50) C(51) C(52) 178.3(8)
C(49) C(50) C(55) C(54) -178.4(8)
C(51) C(50) C(55) C(54) 2.8(12)
C(55) C(50) C(51) C(52) -2.8(12)
C(50) C(51) C(52) C(53) 1.2(15)
C(51) C(52) C(53) C(54) 0.8(15)
C(52) C(53) C(54) C(55) -0.9(15)
C(53) C(54) C(55) C(50) -0.9(13)
