#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/39/4103986.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_4103986
loop_
_publ_author_name
'Atsushi Kunishita'
'Minoru Kubo'
'Hideki Sugimoto'
'Takashi Ogura'
'Kazunobu Sato'
'Takeji Takui'
'Shinobu Itoh'
_publ_section_title
;
 Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and
 Reactivity of the Active Centers of PHM and D\bM
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2788
_journal_page_last               2789
_journal_paper_doi               10.1021/ja809464e
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C23 H32 Cu F6 N4 O2.50 P '
_chemical_formula_sum            'C23 H32 Cu F6 N4 O2.5 P'
_chemical_formula_weight         613.04
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.978(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   25.807(3)
_cell_length_b                   7.3456(5)
_cell_length_c                   29.453(3)
_cell_measurement_reflns_used    6545
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5177.6(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.045
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            20318
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.980
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2528.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.07
_refine_diff_density_min         -0.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     371
_refine_ls_number_reflns         5247
_refine_ls_R_factor_gt           0.0684
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo² + 3.0000σ(Fo²) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0747
_reflns_number_gt                4663
_reflns_number_total             5914
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja809464e_si_001_2.cif
_cod_data_source_block           '__1NO2'
_cod_original_cell_volume        5177.5(9)
_cod_original_formula_sum        'C23 H32 Cu F6 N4 O2.50 P '
_cod_database_code               4103986
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-Y,1/2+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
Cu(1) Cu 0.66227(2) 0.24877(7) 0.10887(2) 0.01755(11) Uani 1.00 1 d .
P(1) P 0.38771(5) 0.28281(15) 0.09197(5) 0.0303(3) Uani 1.00 1 d .
F(1) F 0.36291(14) 0.2651(3) 0.13364(11) 0.0509(9) Uani 1.00 1 d .
F(2) F 0.40820(17) 0.2928(4) 0.04681(15) 0.0739(13) Uani 1.00 1 d .
F(3) F 0.44886(13) 0.2610(5) 0.12879(16) 0.0826(12) Uani 1.00 1 d .
F(4) F 0.32397(13) 0.2988(4) 0.05297(12) 0.0554(9) Uani 1.00 1 d .
F(5) F 0.38351(10) 0.0663(3) 0.08536(10) 0.0382(7) Uani 1.00 1 d .
F(6) F 0.38881(14) 0.4983(3) 0.09582(12) 0.0566(10) Uani 1.00 1 d .
O(1) O 0.32053(12) 0.3539(4) -0.14983(12) 0.0389(9) Uani 1.00 1 d .
O(2) O 0.35587(13) 0.2242(4) -0.19751(11) 0.0405(9) Uani 1.00 1 d .
O(3) O 0.5000 0.4014(8) -0.2500 0.073(2) Uani 1.00 2 d S
N(1) N 0.63946(13) 0.2455(4) 0.16390(11) 0.0184(7) Uani 1.00 1 d .
N(2) N 0.75275(12) 0.2335(4) 0.14185(11) 0.0177(7) Uani 1.00 1 d .
N(3) N 0.66619(12) 0.2446(4) 0.04261(11) 0.0183(7) Uani 1.00 1 d .
N(4) N 0.35913(15) 0.2780(4) -0.15744(13) 0.0286(9) Uani 1.00 1 d .
C(1) C 0.58880(16) 0.3101(5) 0.15978(15) 0.0216(9) Uani 1.00 1 d .
C(2) C 0.57423(17) 0.3401(5) 0.20014(15) 0.0257(10) Uani 1.00 1 d .
C(3) C 0.61236(19) 0.3026(5) 0.24572(15) 0.0282(11) Uani 1.00 1 d .
C(4) C 0.66407(17) 0.2348(5) 0.25037(14) 0.0238(9) Uani 1.00 1 d .
C(5) C 0.67750(15) 0.2056(4) 0.20924(13) 0.0178(9) Uani 1.00 1 d .
C(6) C 0.73308(15) 0.1238(5) 0.21438(14) 0.0213(9) Uani 1.00 1 d .
C(7) C 0.77004(15) 0.2395(5) 0.19527(13) 0.0210(9) Uani 1.00 1 d .
C(8) C 0.77822(16) 0.3887(5) 0.12552(14) 0.0214(9) Uani 1.00 1 d .
C(9) C 0.76399(16) 0.3918(5) 0.07117(14) 0.0228(10) Uani 1.00 1 d .
C(10) C 0.70243(15) 0.4023(5) 0.03907(14) 0.0209(9) Uani 1.00 1 d .
C(11) C 0.76934(16) 0.0562(5) 0.12608(14) 0.0215(10) Uani 1.00 1 d .
C(12) C 0.72064(16) -0.0360(5) 0.08484(14) 0.0228(10) Uani 1.00 1 d .
C(13) C 0.69203(16) 0.0669(5) 0.03689(13) 0.0199(9) Uani 1.00 1 d .
C(14) C 0.61158(15) 0.2701(5) 0.00059(13) 0.0216(9) Uani 1.00 1 d .
C(15) C 0.56535(16) 0.1533(6) 0.00525(15) 0.0294(11) Uani 1.00 1 d .
C(16) C 0.51090(16) 0.1880(5) -0.03756(14) 0.0226(9) Uani 1.00 1 d .
C(17) C 0.46760(16) 0.2870(5) -0.03160(14) 0.0244(10) Uani 1.00 1 d .
C(18) C 0.41802(16) 0.3168(5) -0.07065(15) 0.0240(10) Uani 1.00 1 d .
C(19) C 0.41207(15) 0.2476(5) -0.11559(14) 0.0214(9) Uani 1.00 1 d .
C(20) C 0.45372(17) 0.1502(6) -0.12310(15) 0.0288(11) Uani 1.00 1 d .
C(21) C 0.50306(17) 0.1204(6) -0.08350(16) 0.0312(11) Uani 1.00 1 d .
C(22) C 0.5391(3) 0.2862(11) -0.2141(3) 0.106(3) Uani 1.00 1 d .
C(23) C 0.5298(4) 0.1048(12) -0.2325(3) 0.154(5) Uani 1.00 1 d .
H(1) H 0.5620 0.3355 0.1280 0.026 Uiso 1.00 1 c R
H(2) H 0.5383 0.3861 0.1960 0.034 Uiso 1.00 1 c R
H(3) H 0.6035 0.3230 0.2739 0.037 Uiso 1.00 1 c R
H(4) H 0.6908 0.2072 0.2820 0.029 Uiso 1.00 1 c R
H(5) H 0.7534 0.1018 0.2482 0.025 Uiso 1.00 1 c R
H(6) H 0.7259 0.0114 0.1971 0.025 Uiso 1.00 1 c R
H(7) H 0.8073 0.1953 0.2095 0.024 Uiso 1.00 1 c R
H(8) H 0.7688 0.3622 0.2050 0.024 Uiso 1.00 1 c R
H(9) H 0.7653 0.4986 0.1347 0.026 Uiso 1.00 1 c R
H(10) H 0.8177 0.3812 0.1415 0.026 Uiso 1.00 1 c R
H(11) H 0.7818 0.4951 0.0640 0.028 Uiso 1.00 1 c R
H(12) H 0.7787 0.2842 0.0627 0.028 Uiso 1.00 1 c R
H(13) H 0.6996 0.4101 0.0060 0.025 Uiso 1.00 1 c R
H(14) H 0.6878 0.5101 0.0475 0.025 Uiso 1.00 1 c R
H(15) H 0.7988 0.0780 0.1148 0.026 Uiso 1.00 1 c R
H(16) H 0.7821 -0.0234 0.1535 0.026 Uiso 1.00 1 c R
H(17) H 0.7347 -0.1463 0.0770 0.028 Uiso 1.00 1 c R
H(18) H 0.6927 -0.0630 0.0976 0.028 Uiso 1.00 1 c R
H(19) H 0.6634 -0.0086 0.0154 0.024 Uiso 1.00 1 c R
H(20) H 0.7190 0.0912 0.0229 0.024 Uiso 1.00 1 c R
H(21) H 0.6010 0.3945 -0.0008 0.025 Uiso 1.00 1 c R
H(22) H 0.6164 0.2380 -0.0289 0.025 Uiso 1.00 1 c R
H(23) H 0.5751 0.0284 0.0057 0.034 Uiso 1.00 1 c R
H(24) H 0.5606 0.1832 0.0349 0.034 Uiso 1.00 1 c R
H(25) H 0.4723 0.3335 -0.0002 0.029 Uiso 1.00 1 c R
H(26) H 0.3887 0.3844 -0.0665 0.029 Uiso 1.00 1 c R
H(27) H 0.4487 0.1040 -0.1546 0.034 Uiso 1.00 1 c R
H(28) H 0.5322 0.0527 -0.0880 0.037 Uiso 1.00 1 c R
H(29) H 0.5762 0.3242 -0.2085 0.129 Uiso 1.00 1 c R
H(30) H 0.5329 0.2925 -0.1844 0.129 Uiso 1.00 1 c R
H(31) H 0.5539 0.0781 -0.2493 0.189 Uiso 1.00 1 c R
H(32) H 0.5356 0.0183 -0.2071 0.189 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)
;
P P 0.102 0.094
;
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)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N(1) Cu(1) N(2) 103.88(12) yes . .
N(1) Cu(1) N(3) 166.09(11) yes . .
N(2) Cu(1) N(3) 89.83(12) yes . .
F(1) P(1) F(2) 175.29(17) yes . .
F(1) P(1) F(3) 92.9(2) yes . .
F(1) P(1) F(4) 87.59(18) yes . .
F(1) P(1) F(5) 89.10(17) yes . .
F(1) P(1) F(6) 91.60(19) yes . .
F(2) P(1) F(3) 91.1(2) yes . .
F(2) P(1) F(4) 88.3(2) yes . .
F(2) P(1) F(5) 88.45(18) yes . .
F(2) P(1) F(6) 90.6(2) yes . .
F(3) P(1) F(4) 178.1(2) yes . .
F(3) P(1) F(5) 89.28(16) yes . .
F(3) P(1) F(6) 93.82(18) yes . .
F(4) P(1) F(5) 88.93(14) yes . .
F(4) P(1) F(6) 87.97(16) yes . .
F(5) P(1) F(6) 176.79(14) yes . .
C(22) O(3) C(22) 107.6(6) yes . 2_654
Cu(1) N(1) C(1) 120.7(2) yes . .
Cu(1) N(1) C(5) 119.6(2) yes . .
C(1) N(1) C(5) 118.8(3) yes . .
Cu(1) N(2) C(7) 108.8(2) yes . .
Cu(1) N(2) C(8) 110.4(2) yes . .
Cu(1) N(2) C(11) 106.90(19) yes . .
C(7) N(2) C(8) 109.3(2) yes . .
C(7) N(2) C(11) 110.6(2) yes . .
C(8) N(2) C(11) 110.8(3) yes . .
Cu(1) N(3) C(10) 108.3(2) yes . .
Cu(1) N(3) C(13) 108.1(2) yes . .
Cu(1) N(3) C(14) 115.5(2) yes . .
C(10) N(3) C(13) 110.2(3) yes . .
C(10) N(3) C(14) 105.1(2) yes . .
C(13) N(3) C(14) 109.6(2) yes . .
O(1) N(4) O(2) 123.8(3) yes . .
O(1) N(4) C(19) 118.4(3) yes . .
O(2) N(4) C(19) 117.9(3) yes . .
N(1) C(1) C(2) 122.7(3) yes . .
C(1) C(2) C(3) 118.9(4) yes . .
C(2) C(3) C(4) 119.0(4) yes . .
C(3) C(4) C(5) 120.9(3) yes . .
N(1) C(5) C(4) 119.8(3) yes . .
N(1) C(5) C(6) 119.6(3) yes . .
C(4) C(5) C(6) 120.6(3) yes . .
C(5) C(6) C(7) 116.2(3) yes . .
N(2) C(7) C(6) 113.3(2) yes . .
N(2) C(8) C(9) 113.3(3) yes . .
C(8) C(9) C(10) 116.5(3) yes . .
N(3) C(10) C(9) 116.6(3) yes . .
N(2) C(11) C(12) 112.6(2) yes . .
C(11) C(12) C(13) 118.8(3) yes . .
N(3) C(13) C(12) 114.1(3) yes . .
N(3) C(14) C(15) 112.5(3) yes . .
C(14) C(15) C(16) 110.2(3) yes . .
C(15) C(16) C(17) 121.2(3) yes . .
C(15) C(16) C(21) 120.2(3) yes . .
C(17) C(16) C(21) 118.6(3) yes . .
C(16) C(17) C(18) 120.9(3) yes . .
C(17) C(18) C(19) 118.6(4) yes . .
N(4) C(19) C(18) 119.0(3) yes . .
N(4) C(19) C(20) 118.6(3) yes . .
C(18) C(19) C(20) 122.4(3) yes . .
C(19) C(20) C(21) 118.3(4) yes . .
C(16) C(21) C(20) 121.2(4) yes . .
O(3) C(22) C(23) 107.5(6) yes . .
C(22) C(23) C(23) 104.2(7) yes . 2_654
N(1) C(1) H(1) 118.7 no . .
C(2) C(1) H(1) 118.7 no . .
C(1) C(2) H(2) 120.6 no . .
C(3) C(2) H(2) 120.5 no . .
C(2) C(3) H(3) 120.5 no . .
C(4) C(3) H(3) 120.5 no . .
C(3) C(4) H(4) 119.5 no . .
C(5) C(4) H(4) 119.6 no . .
C(5) C(6) H(5) 107.7 no . .
C(5) C(6) H(6) 107.8 no . .
C(7) C(6) H(5) 107.7 no . .
C(7) C(6) H(6) 108.0 no . .
H(5) C(6) H(6) 109.5 no . .
N(2) C(7) H(7) 108.4 no . .
N(2) C(7) H(8) 108.7 no . .
C(6) C(7) H(7) 108.3 no . .
C(6) C(7) H(8) 108.7 no . .
H(7) C(7) H(8) 109.5 no . .
N(2) C(8) H(9) 108.5 no . .
N(2) C(8) H(10) 108.5 no . .
C(9) C(8) H(9) 108.5 no . .
C(9) C(8) H(10) 108.6 no . .
H(9) C(8) H(10) 109.5 no . .
C(8) C(9) H(11) 107.6 no . .
C(8) C(9) H(12) 107.7 no . .
C(10) C(9) H(11) 107.5 no . .
C(10) C(9) H(12) 107.9 no . .
H(11) C(9) H(12) 109.5 no . .
N(3) C(10) H(13) 107.6 no . .
N(3) C(10) H(14) 107.6 no . .
C(9) C(10) H(13) 107.6 no . .
C(9) C(10) H(14) 107.8 no . .
H(13) C(10) H(14) 109.5 no . .
N(2) C(11) H(15) 108.7 no . .
N(2) C(11) H(16) 108.7 no . .
C(12) C(11) H(15) 108.8 no . .
C(12) C(11) H(16) 108.6 no . .
H(15) C(11) H(16) 109.5 no . .
C(11) C(12) H(17) 107.1 no . .
C(11) C(12) H(18) 107.1 no . .
C(13) C(12) H(17) 107.1 no . .
C(13) C(12) H(18) 107.1 no . .
H(17) C(12) H(18) 109.5 no . .
N(3) C(13) H(19) 108.4 no . .
N(3) C(13) H(20) 108.3 no . .
C(12) C(13) H(19) 108.2 no . .
C(12) C(13) H(20) 108.4 no . .
H(19) C(13) H(20) 109.5 no . .
N(3) C(14) H(21) 108.8 no . .
N(3) C(14) H(22) 108.6 no . .
C(15) C(14) H(21) 108.9 no . .
C(15) C(14) H(22) 108.5 no . .
H(21) C(14) H(22) 109.5 no . .
C(14) C(15) H(23) 109.5 no . .
C(14) C(15) H(24) 109.1 no . .
C(16) C(15) H(23) 109.4 no . .
C(16) C(15) H(24) 109.1 no . .
H(23) C(15) H(24) 109.5 no . .
C(16) C(17) H(25) 119.5 no . .
C(18) C(17) H(25) 119.6 no . .
C(17) C(18) H(26) 120.7 no . .
C(19) C(18) H(26) 120.7 no . .
C(19) C(20) H(27) 120.8 no . .
C(21) C(20) H(27) 120.9 no . .
C(16) C(21) H(28) 119.3 no . .
C(20) C(21) H(28) 119.4 no . .
O(3) C(22) H(29) 110.0 no . .
O(3) C(22) H(30) 109.6 no . .
C(23) C(22) H(29) 110.9 no . .
C(23) C(22) H(30) 109.4 no . .
H(29) C(22) H(30) 109.5 no . .
C(22) C(23) H(31) 109.9 no . .
C(22) C(23) H(32) 111.9 no . .
C(23) C(23) H(31) 110.2 no 2_654 .
C(23) C(23) H(32) 111.1 no 2_654 .
H(31) C(23) H(32) 109.5 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Cu(1) N(1) 1.920(3) yes .
Cu(1) N(2) 2.170(2) yes .
Cu(1) N(3) 1.992(3) yes .
P(1) F(1) 1.588(4) yes .
P(1) F(2) 1.606(5) yes .
P(1) F(3) 1.553(3) yes .
P(1) F(4) 1.620(2) yes .
P(1) F(5) 1.601(2) yes .
P(1) F(6) 1.587(3) yes .
O(1) N(4) 1.233(5) yes .
O(2) N(4) 1.217(5) yes .
O(3) C(22) 1.433(9) yes .
O(3) C(22) 1.433(9) yes 2_654
N(1) C(1) 1.353(5) yes .
N(1) C(5) 1.361(4) yes .
N(2) C(7) 1.467(4) yes .
N(2) C(8) 1.483(5) yes .
N(2) C(11) 1.498(5) yes .
N(3) C(10) 1.516(5) yes .
N(3) C(13) 1.504(5) yes .
N(3) C(14) 1.499(3) yes .
N(4) C(19) 1.475(4) yes .
C(1) C(2) 1.392(7) yes .
C(2) C(3) 1.363(5) yes .
C(3) C(4) 1.382(6) yes .
C(4) C(5) 1.396(6) yes .
C(5) C(6) 1.510(5) yes .
C(6) C(7) 1.533(6) yes .
C(8) C(9) 1.503(5) yes .
C(9) C(10) 1.516(4) yes .
C(11) C(12) 1.540(4) yes .
C(12) C(13) 1.527(5) yes .
C(14) C(15) 1.517(6) yes .
C(15) C(16) 1.518(4) yes .
C(16) C(17) 1.398(6) yes .
C(16) C(21) 1.383(6) yes .
C(17) C(18) 1.381(4) yes .
C(18) C(19) 1.372(6) yes .
C(19) C(20) 1.376(6) yes .
C(20) C(21) 1.385(5) yes .
C(22) C(23) 1.424(12) yes .
C(23) C(23) 1.497(13) yes 2_654
C(1) H(1) 0.950 no .
C(2) H(2) 0.950 no .
C(3) H(3) 0.950 no .
C(4) H(4) 0.950 no .
C(6) H(5) 0.950 no .
C(6) H(6) 0.950 no .
C(7) H(7) 0.950 no .
C(7) H(8) 0.950 no .
C(8) H(9) 0.950 no .
C(8) H(10) 0.950 no .
C(9) H(11) 0.950 no .
C(9) H(12) 0.950 no .
C(10) H(13) 0.950 no .
C(10) H(14) 0.950 no .
C(11) H(15) 0.950 no .
C(11) H(16) 0.950 no .
C(12) H(17) 0.950 no .
C(12) H(18) 0.950 no .
C(13) H(19) 0.950 no .
C(13) H(20) 0.950 no .
C(14) H(21) 0.950 no .
C(14) H(22) 0.950 no .
C(15) H(23) 0.950 no .
C(15) H(24) 0.950 no .
C(17) H(25) 0.950 no .
C(18) H(26) 0.950 no .
C(20) H(27) 0.950 no .
C(21) H(28) 0.950 no .
C(22) H(29) 0.950 no .
C(22) H(30) 0.950 no .
C(23) H(31) 0.950 no .
C(23) H(32) 0.950 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Cu(1) O(1) 3.125(3) 3_665
Cu(1) C(1) 2.859(5) .
Cu(1) C(5) 2.850(3) .
Cu(1) C(6) 3.097(3) .
Cu(1) C(7) 2.986(3) .
Cu(1) C(8) 3.025(4) .
Cu(1) C(9) 3.378(4) .
Cu(1) C(10) 2.858(4) .
Cu(1) C(11) 2.974(4) .
Cu(1) C(12) 2.819(4) .
Cu(1) C(13) 2.844(4) .
Cu(1) C(14) 2.964(3) .
Cu(1) C(15) 3.217(3) .
F(1) F(2) 3.191(6) .
F(1) F(3) 2.276(5) .
F(1) F(4) 2.220(4) .
F(1) F(5) 2.237(4) .
F(1) F(6) 2.276(4) .
F(1) C(3) 3.378(5) 2_655
F(1) C(8) 3.477(5) 5_445
F(1) C(11) 3.170(5) 5_455
F(2) F(1) 3.191(6) .
F(2) F(3) 2.256(5) .
F(2) F(4) 2.248(6) .
F(2) F(5) 2.237(5) .
F(2) F(6) 2.270(5) .
F(2) C(14) 3.462(5) 3_665
F(2) C(17) 3.215(7) .
F(2) C(18) 3.567(6) .
F(3) F(1) 2.276(5) .
F(3) F(2) 2.256(5) .
F(3) F(4) 3.172(4) .
F(3) F(5) 2.216(4) .
F(3) F(6) 2.293(4) .
F(3) C(1) 3.397(5) .
F(3) C(2) 3.183(4) .
F(3) C(21) 3.522(6) 3_655
F(4) F(1) 2.220(4) .
F(4) F(2) 2.248(6) .
F(4) F(3) 3.172(4) .
F(4) F(5) 2.256(3) .
F(4) F(6) 2.227(4) .
F(4) C(9) 3.499(5) 5_445
F(4) C(10) 3.354(5) 3_665
F(4) C(11) 3.531(5) 5_455
F(4) C(12) 3.367(5) 5_455
F(5) F(1) 2.237(4) .
F(5) F(2) 2.237(5) .
F(5) F(3) 2.216(4) .
F(5) F(4) 2.256(3) .
F(5) F(6) 3.186(3) .
F(5) C(8) 3.590(5) 5_445
F(5) C(9) 3.220(4) 5_445
F(5) C(13) 3.531(4) 3_655
F(5) C(14) 3.574(5) 3_655
F(5) C(21) 3.252(5) 3_655
F(6) F(1) 2.276(4) .
F(6) F(2) 2.270(5) .
F(6) F(3) 2.293(4) .
F(6) F(4) 2.227(4) .
F(6) F(5) 3.186(3) .
F(6) C(11) 3.541(6) 5_455
F(6) C(14) 3.307(5) 3_665
O(1) Cu(1) 3.125(3) 3_665
O(1) O(2) 2.161(5) .
O(1) N(1) 3.196(4) 3_665
O(1) C(1) 3.488(5) 3_665
O(1) C(8) 3.456(5) 3_665
O(1) C(12) 3.430(5) 3_655
O(1) C(18) 2.730(4) .
O(1) C(19) 2.329(4) .
O(1) C(20) 3.557(5) .
O(2) O(1) 2.161(5) .
O(2) N(1) 3.579(4) 3_655
O(2) C(5) 3.257(4) 3_655
O(2) C(6) 3.346(5) 3_655
O(2) C(6) 3.445(4) 8_454
O(2) C(7) 3.117(4) 8_454
O(2) C(18) 3.537(4) .
O(2) C(19) 2.310(4) .
O(2) C(20) 2.708(4) .
O(3) C(2) 3.396(6) 3_665
O(3) C(2) 3.396(6) 4_564
O(3) C(23) 2.304(10) .
O(3) C(23) 2.304(10) 2_654
N(1) O(1) 3.196(4) 3_665
N(1) O(2) 3.579(4) 3_655
N(1) N(2) 3.225(5) .
N(1) N(4) 3.506(4) 3_665
N(1) C(2) 2.409(6) .
N(1) C(3) 2.781(6) .
N(1) C(4) 2.384(5) .
N(1) C(6) 2.482(4) .
N(1) C(7) 3.143(4) .
N(2) N(1) 3.225(5) .
N(2) N(3) 2.942(3) .
N(2) C(5) 3.262(5) .
N(2) C(6) 2.506(5) .
N(2) C(9) 2.494(5) .
N(2) C(10) 3.073(4) .
N(2) C(12) 2.527(4) .
N(2) C(13) 3.144(4) .
N(3) N(2) 2.942(3) .
N(3) C(8) 3.187(4) .
N(3) C(9) 2.580(4) .
N(3) C(11) 3.186(4) .
N(3) C(12) 2.542(4) .
N(3) C(15) 2.508(4) .
N(4) N(1) 3.506(4) 3_665
N(4) C(1) 3.321(5) 3_665
N(4) C(18) 2.453(4) .
N(4) C(20) 2.453(5) .
C(1) Cu(1) 2.859(5) .
C(1) F(3) 3.397(5) .
C(1) O(1) 3.488(5) 3_665
C(1) N(4) 3.321(5) 3_665
C(1) C(3) 2.372(6) .
C(1) C(4) 2.705(4) .
C(1) C(5) 2.336(4) .
C(1) C(19) 3.496(5) 3_665
C(1) C(20) 3.594(5) 3_655
C(2) F(3) 3.183(4) .
C(2) O(3) 3.396(6) 3_665
C(2) N(1) 2.409(6) .
C(2) C(4) 2.366(5) .
C(2) C(5) 2.760(5) .
C(3) F(1) 3.378(5) 2_655
C(3) N(1) 2.781(6) .
C(3) C(1) 2.372(6) .
C(3) C(5) 2.417(6) .
C(4) N(1) 2.384(5) .
C(4) C(1) 2.705(4) .
C(4) C(2) 2.366(5) .
C(4) C(6) 2.524(6) .
C(5) Cu(1) 2.850(3) .
C(5) O(2) 3.257(4) 3_655
C(5) N(2) 3.262(5) .
C(5) C(1) 2.336(4) .
C(5) C(2) 2.760(5) .
C(5) C(3) 2.417(6) .
C(5) C(7) 2.583(6) .
C(6) Cu(1) 3.097(3) .
C(6) O(2) 3.346(5) 3_655
C(6) O(2) 3.445(4) 8_555
C(6) N(1) 2.482(4) .
C(6) N(2) 2.506(5) .
C(6) C(4) 2.524(6) .
C(6) C(11) 3.116(6) .
C(7) Cu(1) 2.986(3) .
C(7) O(2) 3.117(4) 8_555
C(7) N(1) 3.143(4) .
C(7) C(5) 2.583(6) .
C(7) C(8) 2.407(6) .
C(7) C(11) 2.437(5) .
C(8) Cu(1) 3.025(4) .
C(8) F(1) 3.477(5) 5_555
C(8) F(5) 3.590(5) 5_555
C(8) O(1) 3.456(5) 3_665
C(8) N(3) 3.187(4) .
C(8) C(7) 2.407(6) .
C(8) C(10) 2.567(4) .
C(8) C(11) 2.454(5) .
C(8) C(12) 3.471(5) .
C(9) Cu(1) 3.378(4) .
C(9) F(4) 3.499(5) 5_555
C(9) F(5) 3.220(4) 5_555
C(9) N(2) 2.494(5) .
C(9) N(3) 2.580(4) .
C(9) C(11) 2.923(5) .
C(9) C(12) 3.410(5) .
C(9) C(13) 2.960(5) .
C(10) Cu(1) 2.858(4) .
C(10) F(4) 3.354(5) 3_665
C(10) N(2) 3.073(4) .
C(10) C(8) 2.567(4) .
C(10) C(11) 3.564(5) .
C(10) C(12) 3.454(5) .
C(10) C(13) 2.476(5) .
C(10) C(14) 2.395(5) .
C(11) Cu(1) 2.974(4) .
C(11) F(1) 3.170(5) 5_545
C(11) F(4) 3.531(5) 5_545
C(11) F(6) 3.541(6) 5_545
C(11) N(3) 3.186(4) .
C(11) C(6) 3.116(6) .
C(11) C(7) 2.437(5) .
C(11) C(8) 2.454(5) .
C(11) C(9) 2.923(5) .
C(11) C(10) 3.564(5) .
C(11) C(13) 2.639(4) .
C(12) Cu(1) 2.819(4) .
C(12) F(4) 3.367(5) 5_545
C(12) O(1) 3.430(5) 3_655
C(12) N(2) 2.527(4) .
C(12) N(3) 2.542(4) .
C(12) C(8) 3.471(5) .
C(12) C(9) 3.410(5) .
C(12) C(10) 3.454(5) .
C(13) Cu(1) 2.844(4) .
C(13) F(5) 3.531(4) 3_655
C(13) N(2) 3.144(4) .
C(13) C(9) 2.960(5) .
C(13) C(10) 2.476(5) .
C(13) C(11) 2.639(4) .
C(13) C(14) 2.454(5) .
C(13) C(15) 3.111(5) .
C(14) Cu(1) 2.964(3) .
C(14) F(2) 3.462(5) 3_665
C(14) F(5) 3.574(5) 3_655
C(14) F(6) 3.307(5) 3_665
C(14) C(10) 2.395(5) .
C(14) C(13) 2.454(5) .
C(14) C(16) 2.488(5) .
C(14) C(17) 3.476(5) .
C(14) C(21) 3.162(4) .
C(15) Cu(1) 3.217(3) .
C(15) N(3) 2.508(4) .
C(15) C(13) 3.111(5) .
C(15) C(16) 3.531(6) 3_655
C(15) C(17) 2.541(5) .
C(15) C(17) 3.505(6) 3_655
C(15) C(21) 2.516(5) .
C(16) C(14) 2.488(5) .
C(16) C(15) 3.531(6) 3_655
C(16) C(18) 2.417(5) .
C(16) C(19) 2.755(4) .
C(16) C(20) 2.412(5) .
C(17) F(2) 3.215(7) .
C(17) C(14) 3.476(5) .
C(17) C(15) 2.541(5) .
C(17) C(15) 3.505(6) 3_655
C(17) C(19) 2.367(4) .
C(17) C(20) 2.771(6) .
C(17) C(21) 2.392(6) .
C(18) F(2) 3.567(6) .
C(18) O(1) 2.730(4) .
C(18) O(2) 3.537(4) .
C(18) N(4) 2.453(4) .
C(18) C(16) 2.417(5) .
C(18) C(20) 2.408(6) .
C(18) C(21) 2.768(6) .
C(19) O(1) 2.329(4) .
C(19) O(2) 2.310(4) .
C(19) C(1) 3.496(5) 3_665
C(19) C(16) 2.755(4) .
C(19) C(17) 2.367(4) .
C(19) C(21) 2.371(5) .
C(20) O(1) 3.557(5) .
C(20) O(2) 2.708(4) .
C(20) N(4) 2.453(5) .
C(20) C(1) 3.594(5) 3_655
C(20) C(16) 2.412(5) .
C(20) C(17) 2.771(6) .
C(20) C(18) 2.408(6) .
C(21) F(3) 3.522(6) 3_655
C(21) F(5) 3.252(5) 3_655
C(21) C(14) 3.162(4) .
C(21) C(15) 2.516(5) .
C(21) C(17) 2.392(6) .
C(21) C(18) 2.768(6) .
C(21) C(19) 2.371(5) .
C(22) C(22) 2.313(11) 2_654
C(22) C(23) 2.306(12) 2_654
C(23) O(3) 2.304(10) .
C(23) C(22) 2.306(12) 2_654
Cu(1) H(1) 2.917 .
Cu(1) H(6) 3.050 .
Cu(1) H(8) 3.231 .
Cu(1) H(9) 3.083 .
Cu(1) H(14) 2.876 .
Cu(1) H(16) 3.499 .
Cu(1) H(18) 2.484 .
Cu(1) H(19) 3.349 .
Cu(1) H(20) 3.560 .
Cu(1) H(21) 3.202 .
Cu(1) H(23) 3.434 .
Cu(1) H(24) 2.754 .
Cu(1) H(26) 3.052 3_665
P(1) H(11) 3.307 5_445
P(1) H(15) 3.402 5_455
P(1) H(19) 3.561 3_655
P(1) H(28) 3.248 3_655
F(1) H(3) 2.566 2_655
F(1) H(4) 3.295 2_655
F(1) H(9) 3.199 5_445
F(1) H(10) 3.094 5_445
F(1) H(11) 3.051 5_445
F(1) H(15) 2.764 5_455
F(1) H(16) 2.831 5_455
F(1) H(17) 3.166 5_455
F(1) H(32) 3.411 3_655
F(2) H(13) 3.418 3_665
F(2) H(14) 3.287 3_665
F(2) H(19) 2.932 3_655
F(2) H(21) 2.633 3_665
F(2) H(22) 3.508 3_665
F(2) H(23) 2.941 3_655
F(2) H(25) 2.541 .
F(2) H(26) 3.255 .
F(2) H(28) 2.981 3_655
F(3) H(1) 2.980 .
F(3) H(2) 2.583 .
F(3) H(28) 2.727 3_655
F(3) H(32) 2.999 3_655
F(4) H(11) 2.556 5_445
F(4) H(13) 2.678 3_665
F(4) H(14) 3.187 3_665
F(4) H(15) 2.971 5_455
F(4) H(17) 2.682 5_455
F(4) H(19) 3.032 3_655
F(4) H(20) 3.546 3_655
F(4) H(20) 3.307 5_455
F(5) H(10) 3.095 5_445
F(5) H(11) 2.516 5_445
F(5) H(12) 3.272 5_445
F(5) H(19) 2.787 3_655
F(5) H(20) 3.492 3_655
F(5) H(22) 2.788 3_655
F(5) H(23) 3.312 3_655
F(5) H(28) 2.320 3_655
F(5) H(32) 3.464 3_655
F(6) H(12) 3.370 5_455
F(6) H(13) 3.087 3_665
F(6) H(15) 2.650 5_455
F(6) H(21) 3.013 3_665
F(6) H(22) 2.732 3_665
F(6) H(29) 3.360 3_665
F(6) H(30) 3.051 3_665
O(1) H(4) 3.227 8_454
O(1) H(5) 2.869 8_454
O(1) H(6) 3.055 3_655
O(1) H(8) 3.082 3_665
O(1) H(9) 2.650 3_665
O(1) H(14) 3.256 3_665
O(1) H(16) 3.564 3_655
O(1) H(17) 3.354 3_655
O(1) H(18) 2.728 3_655
O(1) H(26) 2.436 .
O(2) H(5) 3.573 3_655
O(2) H(5) 2.831 8_454
O(2) H(6) 2.733 3_655
O(2) H(7) 2.617 8_454
O(2) H(8) 2.979 8_454
O(2) H(27) 2.418 .
O(2) H(31) 3.428 2_654
O(3) H(2) 2.669 3_665
O(3) H(2) 2.669 4_564
O(3) H(3) 3.214 3_665
O(3) H(3) 3.214 4_564
O(3) H(29) 1.971 .
O(3) H(29) 1.971 2_654
O(3) H(30) 1.967 .
O(3) H(30) 1.967 2_654
O(3) H(31) 2.749 .
O(3) H(31) 2.749 2_654
O(3) H(32) 3.081 .
O(3) H(32) 3.081 2_654
N(1) H(1) 1.992 .
N(1) H(2) 3.259 .
N(1) H(4) 3.237 .
N(1) H(5) 3.235 .
N(1) H(6) 2.694 .
N(1) H(8) 3.212 .
N(1) H(18) 3.584 .
N(1) H(27) 3.372 3_655
N(2) H(5) 3.272 .
N(2) H(6) 2.576 .
N(2) H(7) 1.983 .
N(2) H(8) 1.986 .
N(2) H(9) 1.999 .
N(2) H(10) 1.999 .
N(2) H(11) 3.285 .
N(2) H(12) 2.681 .
N(2) H(14) 3.342 .
N(2) H(15) 2.015 .
N(2) H(16) 2.014 .
N(2) H(17) 3.314 .
N(2) H(18) 2.707 .
N(2) H(20) 3.441 .
N(3) H(9) 3.491 .
N(3) H(11) 3.357 .
N(3) H(12) 2.753 .
N(3) H(13) 2.019 .
N(3) H(14) 2.018 .
N(3) H(15) 3.505 .
N(3) H(17) 3.325 .
N(3) H(18) 2.715 .
N(3) H(19) 2.016 .
N(3) H(20) 2.015 .
N(3) H(21) 2.016 .
N(3) H(22) 2.015 .
N(3) H(23) 2.705 .
N(3) H(24) 2.685 .
N(3) H(26) 3.267 3_665
N(4) H(1) 3.410 3_665
N(4) H(5) 3.205 8_454
N(4) H(6) 2.964 3_655
N(4) H(18) 3.026 3_655
N(4) H(26) 2.614 .
N(4) H(27) 2.614 .
C(1) H(2) 2.046 .
C(1) H(3) 3.238 .
C(1) H(24) 3.596 .
C(1) H(27) 3.178 3_655
C(2) H(1) 2.027 .
C(2) H(3) 2.018 .
C(2) H(4) 3.222 .
C(2) H(27) 3.492 3_655
C(2) H(31) 3.537 4_555
C(3) H(1) 3.223 .
C(3) H(2) 2.019 .
C(3) H(4) 2.027 .
C(3) H(7) 3.510 6_655
C(3) H(16) 3.438 6_655
C(3) H(29) 3.339 4_565
C(3) H(31) 3.206 4_555
C(4) H(2) 3.231 .
C(4) H(3) 2.037 .
C(4) H(5) 2.527 .
C(4) H(5) 3.426 6_655
C(4) H(6) 3.094 .
C(4) H(6) 3.360 6_655
C(4) H(7) 3.569 6_655
C(4) H(8) 3.561 .
C(4) H(8) 3.242 6_645
C(4) H(16) 3.188 6_655
C(5) H(1) 3.190 .
C(5) H(3) 3.275 .
C(5) H(4) 2.039 .
C(5) H(5) 2.013 .
C(5) H(5) 3.398 6_655
C(5) H(6) 2.014 .
C(5) H(7) 3.346 .
C(5) H(8) 2.667 .
C(5) H(8) 3.471 6_645
C(6) H(4) 2.676 .
C(6) H(7) 2.041 .
C(6) H(8) 2.046 .
C(6) H(8) 3.070 6_645
C(6) H(16) 2.772 .
C(6) H(18) 3.480 .
C(7) H(4) 3.573 6_655
C(7) H(5) 2.034 .
C(7) H(5) 3.313 6_655
C(7) H(6) 2.037 .
C(7) H(9) 2.581 .
C(7) H(10) 2.560 .
C(7) H(15) 2.982 .
C(7) H(16) 2.372 .
C(7) H(18) 3.590 .
C(8) H(4) 3.450 6_655
C(8) H(7) 2.704 .
C(8) H(8) 2.449 .
C(8) H(11) 2.006 .
C(8) H(12) 2.008 .
C(8) H(13) 3.344 .
C(8) H(14) 2.739 .
C(8) H(15) 2.391 .
C(8) H(16) 3.129 .
C(8) H(20) 3.576 .
C(9) H(9) 2.017 .
C(9) H(10) 2.018 .
C(9) H(13) 2.019 .
C(9) H(13) 3.545 7_655
C(9) H(14) 2.021 .
C(9) H(15) 2.628 .
C(9) H(17) 3.495 1_565
C(9) H(20) 2.647 .
C(9) H(20) 2.965 7_655
C(10) H(9) 2.765 .
C(10) H(10) 3.355 .
C(10) H(11) 2.017 .
C(10) H(12) 2.022 .
C(10) H(12) 3.492 7_655
C(10) H(15) 3.561 .
C(10) H(17) 3.499 1_565
C(10) H(19) 3.175 .
C(10) H(20) 2.405 .
C(10) H(20) 3.195 7_655
C(10) H(21) 2.436 .
C(10) H(22) 2.658 .
C(10) H(26) 3.172 3_665
C(11) H(4) 3.589 6_645
C(11) H(6) 2.738 .
C(11) H(7) 2.498 .
C(11) H(8) 3.237 .
C(11) H(9) 3.265 .
C(11) H(10) 2.653 .
C(11) H(12) 2.585 .
C(11) H(17) 2.033 .
C(11) H(18) 2.034 .
C(11) H(19) 3.413 .
C(11) H(20) 2.835 .
C(12) H(6) 3.278 .
C(12) H(12) 2.989 .
C(12) H(14) 3.513 1_545
C(12) H(15) 2.053 .
C(12) H(16) 2.052 .
C(12) H(19) 2.035 .
C(12) H(20) 2.037 .
C(13) H(11) 3.317 7_655
C(13) H(12) 2.618 .
C(13) H(12) 3.469 7_655
C(13) H(13) 2.711 .
C(13) H(13) 3.478 7_655
C(13) H(14) 3.276 .
C(13) H(15) 2.851 .
C(13) H(16) 3.414 .
C(13) H(17) 2.021 .
C(13) H(18) 2.022 .
C(13) H(21) 3.254 .
C(13) H(22) 2.512 .
C(13) H(23) 2.820 .
C(13) H(24) 3.475 .
C(14) H(13) 2.443 .
C(14) H(14) 2.617 .
C(14) H(19) 2.395 .
C(14) H(20) 2.913 .
C(14) H(23) 2.041 .
C(14) H(24) 2.036 .
C(14) H(26) 3.197 3_665
C(14) H(28) 3.091 .
C(15) H(19) 2.710 .
C(15) H(21) 2.034 .
C(15) H(22) 2.029 .
C(15) H(25) 2.694 .
C(15) H(28) 2.657 .
C(16) H(21) 2.645 .
C(16) H(22) 2.662 .
C(16) H(23) 2.041 .
C(16) H(23) 3.145 3_655
C(16) H(24) 2.037 .
C(16) H(24) 3.311 3_655
C(16) H(25) 2.041 .
C(16) H(26) 3.277 .
C(16) H(27) 3.271 .
C(16) H(28) 2.026 .
C(17) H(21) 3.311 .
C(17) H(21) 3.283 3_665
C(17) H(23) 3.199 .
C(17) H(23) 2.792 3_655
C(17) H(24) 2.581 .
C(17) H(24) 3.524 3_655
C(17) H(25) 3.157 3_665
C(17) H(26) 2.037 .
C(17) H(28) 3.251 .
C(18) H(1) 3.209 3_665
C(18) H(14) 3.305 3_665
C(18) H(18) 3.252 3_655
C(18) H(21) 3.152 3_665
C(18) H(23) 3.141 3_655
C(18) H(25) 2.026 .
C(18) H(27) 3.263 .
C(19) H(1) 3.184 3_665
C(19) H(18) 3.241 3_655
C(19) H(25) 3.226 .
C(19) H(26) 2.028 .
C(19) H(27) 2.034 .
C(19) H(28) 3.229 .
C(20) H(1) 3.588 3_655
C(20) H(26) 3.263 .
C(20) H(28) 2.028 .
C(20) H(30) 3.359 .
C(21) H(21) 3.431 .
C(21) H(22) 2.892 .
C(21) H(23) 2.677 .
C(21) H(24) 3.270 .
C(21) H(24) 3.390 3_655
C(21) H(25) 3.250 .
C(21) H(27) 2.042 .
C(21) H(30) 3.568 .
C(22) H(2) 3.298 3_665
C(22) H(2) 3.572 4_564
C(22) H(3) 3.401 4_564
C(22) H(29) 3.009 2_654
C(22) H(30) 2.869 2_654
C(22) H(31) 1.963 .
C(22) H(31) 2.707 2_654
C(22) H(32) 1.985 .
C(22) H(32) 3.102 2_654
C(23) H(27) 3.570 2_654
C(23) H(29) 1.974 .
C(23) H(29) 3.089 2_654
C(23) H(30) 1.957 .
C(23) H(30) 2.747 2_654
C(23) H(31) 2.031 2_654
C(23) H(32) 2.042 2_654
H(1) Cu(1) 2.917 .
H(1) F(3) 2.980 .
H(1) N(1) 1.992 .
H(1) N(4) 3.410 3_665
H(1) C(2) 2.027 .
H(1) C(3) 3.223 .
H(1) C(5) 3.190 .
H(1) C(18) 3.209 3_665
H(1) C(19) 3.184 3_665
H(1) C(20) 3.588 3_655
H(1) H(2) 2.331 .
H(1) H(24) 2.952 .
H(1) H(26) 3.295 3_665
H(1) H(27) 3.358 3_655
H(2) F(3) 2.583 .
H(2) O(3) 2.669 3_665
H(2) N(1) 3.259 .
H(2) C(1) 2.046 .
H(2) C(3) 2.019 .
H(2) C(4) 3.231 .
H(2) C(22) 3.298 3_665
H(2) C(22) 3.572 4_565
H(2) H(1) 2.331 .
H(2) H(3) 2.327 .
H(2) H(29) 3.367 4_565
H(2) H(30) 2.932 3_665
H(3) F(1) 2.566 2_655
H(3) O(3) 3.214 3_665
H(3) C(1) 3.238 .
H(3) C(2) 2.018 .
H(3) C(4) 2.037 .
H(3) C(5) 3.275 .
H(3) C(22) 3.401 4_565
H(3) H(2) 2.327 .
H(3) H(4) 2.333 .
H(3) H(7) 3.490 6_655
H(3) H(16) 3.137 6_655
H(3) H(29) 2.786 4_565
H(3) H(31) 3.183 4_555
H(3) H(32) 3.227 4_555
H(4) F(1) 3.295 2_655
H(4) O(1) 3.227 8_555
H(4) N(1) 3.237 .
H(4) C(2) 3.222 .
H(4) C(3) 2.027 .
H(4) C(5) 2.039 .
H(4) C(6) 2.676 .
H(4) C(7) 3.573 6_645
H(4) C(8) 3.450 6_645
H(4) C(11) 3.589 6_655
H(4) H(3) 2.333 .
H(4) H(5) 2.325 .
H(4) H(5) 3.496 6_655
H(4) H(6) 3.291 .
H(4) H(6) 3.001 6_655
H(4) H(7) 3.594 6_655
H(4) H(8) 2.712 6_645
H(4) H(9) 2.752 6_645
H(4) H(10) 3.350 6_645
H(4) H(16) 2.650 6_655
H(5) O(1) 2.869 8_555
H(5) O(2) 3.573 3_655
H(5) O(2) 2.831 8_555
H(5) N(1) 3.235 .
H(5) N(2) 3.272 .
H(5) N(4) 3.205 8_555
H(5) C(4) 2.527 .
H(5) C(4) 3.426 6_645
H(5) C(5) 2.013 .
H(5) C(5) 3.398 6_645
H(5) C(7) 2.034 .
H(5) C(7) 3.313 6_645
H(5) H(4) 2.325 .
H(5) H(4) 3.496 6_645
H(5) H(6) 1.551 .
H(5) H(6) 3.360 6_655
H(5) H(7) 2.210 .
H(5) H(8) 2.412 .
H(5) H(8) 2.433 6_645
H(5) H(16) 3.274 .
H(6) Cu(1) 3.050 .
H(6) O(1) 3.055 3_655
H(6) O(2) 2.733 3_655
H(6) N(1) 2.694 .
H(6) N(2) 2.576 .
H(6) N(4) 2.964 3_655
H(6) C(4) 3.094 .
H(6) C(4) 3.360 6_645
H(6) C(5) 2.014 .
H(6) C(7) 2.037 .
H(6) C(11) 2.738 .
H(6) C(12) 3.278 .
H(6) H(4) 3.291 .
H(6) H(4) 3.001 6_645
H(6) H(5) 1.551 .
H(6) H(5) 3.360 6_645
H(6) H(7) 2.406 .
H(6) H(8) 2.780 .
H(6) H(8) 3.040 6_645
H(6) H(16) 2.283 .
H(6) H(18) 2.783 .
H(7) O(2) 2.617 8_555
H(7) N(2) 1.983 .
H(7) C(3) 3.510 6_645
H(7) C(4) 3.569 6_645
H(7) C(5) 3.346 .
H(7) C(6) 2.041 .
H(7) C(8) 2.704 .
H(7) C(11) 2.498 .
H(7) H(3) 3.490 6_645
H(7) H(4) 3.594 6_645
H(7) H(5) 2.210 .
H(7) H(6) 2.406 .
H(7) H(8) 1.551 .
H(7) H(9) 3.035 .
H(7) H(10) 2.520 .
H(7) H(15) 2.849 .
H(7) H(16) 2.220 .
H(7) H(29) 3.022 7_655
H(8) Cu(1) 3.231 .
H(8) O(1) 3.082 3_665
H(8) O(2) 2.979 8_555
H(8) N(1) 3.212 .
H(8) N(2) 1.986 .
H(8) C(4) 3.561 .
H(8) C(4) 3.242 6_655
H(8) C(5) 2.667 .
H(8) C(5) 3.471 6_655
H(8) C(6) 2.046 .
H(8) C(6) 3.070 6_655
H(8) C(8) 2.449 .
H(8) C(11) 3.237 .
H(8) H(4) 2.712 6_655
H(8) H(5) 2.412 .
H(8) H(5) 2.433 6_655
H(8) H(6) 2.780 .
H(8) H(6) 3.040 6_655
H(8) H(7) 1.551 .
H(8) H(9) 2.271 .
H(8) H(10) 2.620 .
H(8) H(16) 3.291 .
H(9) Cu(1) 3.083 .
H(9) F(1) 3.199 5_555
H(9) O(1) 2.650 3_665
H(9) N(2) 1.999 .
H(9) N(3) 3.491 .
H(9) C(7) 2.581 .
H(9) C(9) 2.017 .
H(9) C(10) 2.765 .
H(9) C(11) 3.265 .
H(9) H(4) 2.752 6_655
H(9) H(7) 3.035 .
H(9) H(8) 2.271 .
H(9) H(10) 1.551 .
H(9) H(11) 2.274 .
H(9) H(12) 2.764 .
H(9) H(13) 3.584 .
H(9) H(14) 2.599 .
H(9) H(15) 3.319 .
H(9) H(16) 3.555 1_565
H(9) H(17) 3.051 1_565
H(10) F(1) 3.094 5_555
H(10) F(5) 3.095 5_555
H(10) N(2) 1.999 .
H(10) C(7) 2.560 .
H(10) C(9) 2.018 .
H(10) C(10) 3.355 .
H(10) C(11) 2.653 .
H(10) H(4) 3.350 6_655
H(10) H(7) 2.520 .
H(10) H(8) 2.620 .
H(10) H(9) 1.551 .
H(10) H(11) 2.277 .
H(10) H(12) 2.272 .
H(10) H(14) 3.585 .
H(10) H(15) 2.352 .
H(10) H(16) 3.169 .
H(10) H(29) 3.102 7_655
H(11) P(1) 3.307 5_555
H(11) F(1) 3.051 5_555
H(11) F(4) 2.556 5_555
H(11) F(5) 2.516 5_555
H(11) N(2) 3.285 .
H(11) N(3) 3.357 .
H(11) C(8) 2.006 .
H(11) C(10) 2.017 .
H(11) C(13) 3.317 7_655
H(11) H(9) 2.274 .
H(11) H(10) 2.277 .
H(11) H(12) 1.551 .
H(11) H(13) 2.257 .
H(11) H(14) 2.291 .
H(11) H(15) 3.365 .
H(11) H(17) 2.985 1_565
H(11) H(19) 3.156 7_655
H(11) H(20) 3.380 .
H(11) H(20) 2.630 7_655
H(11) H(22) 3.600 7_655
H(12) F(5) 3.272 5_555
H(12) F(6) 3.370 5_545
H(12) N(2) 2.681 .
H(12) N(3) 2.753 .
H(12) C(8) 2.008 .
H(12) C(10) 2.022 .
H(12) C(10) 3.492 7_655
H(12) C(11) 2.585 .
H(12) C(12) 2.989 .
H(12) C(13) 2.618 .
H(12) C(13) 3.469 7_655
H(12) H(9) 2.764 .
H(12) H(10) 2.272 .
H(12) H(11) 1.551 .
H(12) H(12) 3.464 7_655
H(12) H(13) 2.294 .
H(12) H(13) 2.701 7_655
H(12) H(14) 2.770 .
H(12) H(15) 2.079 .
H(12) H(16) 3.476 .
H(12) H(17) 3.438 .
H(12) H(19) 3.509 .
H(12) H(19) 3.579 7_655
H(12) H(20) 2.099 .
H(12) H(20) 2.703 7_655
H(12) H(22) 3.221 7_655
H(13) F(2) 3.418 3_665
H(13) F(4) 2.678 3_665
H(13) F(6) 3.087 3_665
H(13) N(3) 2.019 .
H(13) C(8) 3.344 .
H(13) C(9) 2.019 .
H(13) C(9) 3.545 7_655
H(13) C(13) 2.711 .
H(13) C(13) 3.478 7_655
H(13) C(14) 2.443 .
H(13) H(9) 3.584 .
H(13) H(11) 2.257 .
H(13) H(12) 2.294 .
H(13) H(12) 2.701 7_655
H(13) H(14) 1.551 .
H(13) H(15) 3.575 7_655
H(13) H(19) 3.255 .
H(13) H(20) 2.408 .
H(13) H(20) 2.545 7_655
H(13) H(21) 2.479 .
H(13) H(22) 2.369 .
H(14) Cu(1) 2.876 .
H(14) F(2) 3.287 3_665
H(14) F(4) 3.187 3_665
H(14) O(1) 3.256 3_665
H(14) N(2) 3.342 .
H(14) N(3) 2.018 .
H(14) C(8) 2.739 .
H(14) C(9) 2.021 .
H(14) C(12) 3.513 1_565
H(14) C(13) 3.276 .
H(14) C(14) 2.617 .
H(14) C(18) 3.305 3_665
H(14) H(9) 2.599 .
H(14) H(10) 3.585 .
H(14) H(11) 2.291 .
H(14) H(12) 2.770 .
H(14) H(13) 1.551 .
H(14) H(17) 2.794 1_565
H(14) H(18) 3.448 1_565
H(14) H(20) 3.329 .
H(14) H(21) 2.319 .
H(14) H(22) 3.058 .
H(14) H(26) 2.374 3_665
H(15) P(1) 3.402 5_545
H(15) F(1) 2.764 5_545
H(15) F(4) 2.971 5_545
H(15) F(6) 2.650 5_545
H(15) N(2) 2.015 .
H(15) N(3) 3.505 .
H(15) C(7) 2.982 .
H(15) C(8) 2.391 .
H(15) C(9) 2.628 .
H(15) C(10) 3.561 .
H(15) C(12) 2.053 .
H(15) C(13) 2.851 .
H(15) H(7) 2.849 .
H(15) H(9) 3.319 .
H(15) H(10) 2.352 .
H(15) H(11) 3.365 .
H(15) H(12) 2.079 .
H(15) H(13) 3.575 7_655
H(15) H(16) 1.551 .
H(15) H(17) 2.304 .
H(15) H(18) 2.789 .
H(15) H(20) 2.721 .
H(15) H(29) 3.446 7_655
H(16) Cu(1) 3.499 .
H(16) F(1) 2.831 5_545
H(16) O(1) 3.564 3_655
H(16) N(2) 2.014 .
H(16) C(3) 3.438 6_645
H(16) C(4) 3.188 6_645
H(16) C(6) 2.772 .
H(16) C(7) 2.372 .
H(16) C(8) 3.129 .
H(16) C(12) 2.052 .
H(16) C(13) 3.414 .
H(16) H(3) 3.137 6_645
H(16) H(4) 2.650 6_645
H(16) H(5) 3.274 .
H(16) H(6) 2.283 .
H(16) H(7) 2.220 .
H(16) H(8) 3.291 .
H(16) H(9) 3.555 1_545
H(16) H(10) 3.169 .
H(16) H(12) 3.476 .
H(16) H(15) 1.551 .
H(16) H(17) 2.307 .
H(16) H(18) 2.294 .
H(17) F(1) 3.166 5_545
H(17) F(4) 2.682 5_545
H(17) O(1) 3.354 3_655
H(17) N(2) 3.314 .
H(17) N(3) 3.325 .
H(17) C(9) 3.495 1_545
H(17) C(10) 3.499 1_545
H(17) C(11) 2.033 .
H(17) C(13) 2.021 .
H(17) H(9) 3.051 1_545
H(17) H(11) 2.985 1_545
H(17) H(12) 3.438 .
H(17) H(14) 2.794 1_545
H(17) H(15) 2.304 .
H(17) H(16) 2.307 .
H(17) H(18) 1.551 .
H(17) H(19) 2.280 .
H(17) H(20) 2.294 .
H(17) H(26) 3.544 3_655
H(18) Cu(1) 2.484 .
H(18) O(1) 2.728 3_655
H(18) N(1) 3.584 .
H(18) N(2) 2.707 .
H(18) N(3) 2.715 .
H(18) N(4) 3.026 3_655
H(18) C(6) 3.480 .
H(18) C(7) 3.590 .
H(18) C(11) 2.034 .
H(18) C(13) 2.022 .
H(18) C(18) 3.252 3_655
H(18) C(19) 3.241 3_655
H(18) H(6) 2.783 .
H(18) H(14) 3.448 1_545
H(18) H(15) 2.789 .
H(18) H(16) 2.294 .
H(18) H(17) 1.551 .
H(18) H(19) 2.286 .
H(18) H(20) 2.776 .
H(18) H(23) 3.293 .
H(18) H(26) 3.064 3_655
H(19) Cu(1) 3.349 .
H(19) P(1) 3.561 3_655
H(19) F(2) 2.932 3_655
H(19) F(4) 3.032 3_655
H(19) F(5) 2.787 3_655
H(19) N(3) 2.016 .
H(19) C(10) 3.175 .
H(19) C(11) 3.413 .
H(19) C(12) 2.035 .
H(19) C(14) 2.395 .
H(19) C(15) 2.710 .
H(19) H(11) 3.156 7_655
H(19) H(12) 3.509 .
H(19) H(12) 3.579 7_655
H(19) H(13) 3.255 .
H(19) H(17) 2.280 .
H(19) H(18) 2.286 .
H(19) H(20) 1.551 .
H(19) H(21) 3.319 .
H(19) H(22) 2.296 .
H(19) H(23) 2.206 .
H(19) H(24) 3.238 .
H(20) Cu(1) 3.560 .
H(20) F(4) 3.546 3_655
H(20) F(4) 3.307 5_545
H(20) F(5) 3.492 3_655
H(20) N(2) 3.441 .
H(20) N(3) 2.015 .
H(20) C(8) 3.576 .
H(20) C(9) 2.647 .
H(20) C(9) 2.965 7_655
H(20) C(10) 2.405 .
H(20) C(10) 3.195 7_655
H(20) C(11) 2.835 .
H(20) C(12) 2.037 .
H(20) C(14) 2.913 .
H(20) H(11) 3.380 .
H(20) H(11) 2.630 7_655
H(20) H(12) 2.099 .
H(20) H(12) 2.703 7_655
H(20) H(13) 2.408 .
H(20) H(13) 2.545 7_655
H(20) H(14) 3.329 .
H(20) H(15) 2.721 .
H(20) H(17) 2.294 .
H(20) H(18) 2.776 .
H(20) H(19) 1.551 .
H(20) H(20) 3.381 7_655
H(20) H(22) 2.736 .
H(20) H(23) 3.586 .
H(21) Cu(1) 3.202 .
H(21) F(2) 2.633 3_665
H(21) F(6) 3.013 3_665
H(21) N(3) 2.016 .
H(21) C(10) 2.436 .
H(21) C(13) 3.254 .
H(21) C(15) 2.034 .
H(21) C(16) 2.645 .
H(21) C(17) 3.311 .
H(21) C(17) 3.283 3_665
H(21) C(18) 3.152 3_665
H(21) C(21) 3.431 .
H(21) H(13) 2.479 .
H(21) H(14) 2.319 .
H(21) H(19) 3.319 .
H(21) H(22) 1.551 .
H(21) H(23) 2.795 .
H(21) H(24) 2.327 .
H(21) H(25) 3.358 .
H(21) H(25) 2.759 3_665
H(21) H(26) 2.499 3_665
H(21) H(28) 3.555 .
H(22) F(2) 3.508 3_665
H(22) F(5) 2.788 3_655
H(22) F(6) 2.732 3_665
H(22) N(3) 2.015 .
H(22) C(10) 2.658 .
H(22) C(13) 2.512 .
H(22) C(15) 2.029 .
H(22) C(16) 2.662 .
H(22) C(21) 2.892 .
H(22) H(11) 3.600 7_655
H(22) H(12) 3.221 7_655
H(22) H(13) 2.369 .
H(22) H(14) 3.058 .
H(22) H(19) 2.296 .
H(22) H(20) 2.736 .
H(22) H(21) 1.551 .
H(22) H(23) 2.314 .
H(22) H(24) 2.787 .
H(22) H(28) 2.603 .
H(23) Cu(1) 3.434 .
H(23) F(2) 2.941 3_655
H(23) F(5) 3.312 3_655
H(23) N(3) 2.705 .
H(23) C(13) 2.820 .
H(23) C(14) 2.041 .
H(23) C(16) 2.041 .
H(23) C(16) 3.145 3_655
H(23) C(17) 3.199 .
H(23) C(17) 2.792 3_655
H(23) C(18) 3.141 3_655
H(23) C(21) 2.677 .
H(23) H(18) 3.293 .
H(23) H(19) 2.206 .
H(23) H(20) 3.586 .
H(23) H(21) 2.795 .
H(23) H(22) 2.314 .
H(23) H(24) 1.551 .
H(23) H(25) 3.428 .
H(23) H(25) 2.905 3_655
H(23) H(26) 3.467 3_655
H(23) H(28) 2.567 .
H(24) Cu(1) 2.754 .
H(24) N(3) 2.685 .
H(24) C(1) 3.596 .
H(24) C(13) 3.475 .
H(24) C(14) 2.036 .
H(24) C(16) 2.037 .
H(24) C(16) 3.311 3_655
H(24) C(17) 2.581 .
H(24) C(17) 3.524 3_655
H(24) C(21) 3.270 .
H(24) C(21) 3.390 3_655
H(24) H(1) 2.952 .
H(24) H(19) 3.238 .
H(24) H(21) 2.327 .
H(24) H(22) 2.787 .
H(24) H(23) 1.551 .
H(24) H(25) 2.393 .
H(24) H(26) 3.429 3_665
H(24) H(28) 3.544 .
H(25) F(2) 2.541 .
H(25) C(15) 2.694 .
H(25) C(16) 2.041 .
H(25) C(17) 3.157 3_665
H(25) C(18) 2.026 .
H(25) C(19) 3.226 .
H(25) C(21) 3.250 .
H(25) H(21) 3.358 .
H(25) H(21) 2.759 3_665
H(25) H(23) 3.428 .
H(25) H(23) 2.905 3_655
H(25) H(24) 2.393 .
H(25) H(25) 2.832 3_665
H(25) H(26) 2.335 .
H(26) Cu(1) 3.052 3_665
H(26) F(2) 3.255 .
H(26) O(1) 2.436 .
H(26) N(3) 3.267 3_665
H(26) N(4) 2.614 .
H(26) C(10) 3.172 3_665
H(26) C(14) 3.197 3_665
H(26) C(16) 3.277 .
H(26) C(17) 2.037 .
H(26) C(19) 2.028 .
H(26) C(20) 3.263 .
H(26) H(1) 3.295 3_665
H(26) H(14) 2.374 3_665
H(26) H(17) 3.544 3_655
H(26) H(18) 3.064 3_655
H(26) H(21) 2.499 3_665
H(26) H(23) 3.467 3_655
H(26) H(24) 3.429 3_665
H(26) H(25) 2.335 .
H(27) O(2) 2.418 .
H(27) N(1) 3.372 3_655
H(27) N(4) 2.614 .
H(27) C(1) 3.178 3_655
H(27) C(2) 3.492 3_655
H(27) C(16) 3.271 .
H(27) C(18) 3.263 .
H(27) C(19) 2.034 .
H(27) C(21) 2.042 .
H(27) C(23) 3.570 2_654
H(27) H(1) 3.358 3_655
H(27) H(28) 2.339 .
H(27) H(30) 2.972 .
H(27) H(31) 2.811 2_654
H(27) H(32) 3.227 .
H(28) P(1) 3.248 3_655
H(28) F(2) 2.981 3_655
H(28) F(3) 2.727 3_655
H(28) F(5) 2.320 3_655
H(28) C(14) 3.091 .
H(28) C(15) 2.657 .
H(28) C(16) 2.026 .
H(28) C(17) 3.251 .
H(28) C(19) 3.229 .
H(28) C(20) 2.028 .
H(28) H(21) 3.555 .
H(28) H(22) 2.603 .
H(28) H(23) 2.567 .
H(28) H(24) 3.544 .
H(28) H(27) 2.339 .
H(28) H(30) 3.347 .
H(28) H(32) 3.551 .
H(29) F(6) 3.360 3_665
H(29) O(3) 1.971 .
H(29) C(3) 3.339 4_564
H(29) C(22) 3.009 2_654
H(29) C(23) 1.974 .
H(29) C(23) 3.089 2_654
H(29) H(2) 3.367 4_564
H(29) H(3) 2.786 4_564
H(29) H(7) 3.022 7_655
H(29) H(10) 3.102 7_655
H(29) H(15) 3.446 7_655
H(29) H(30) 1.551 .
H(29) H(30) 3.359 2_654
H(29) H(31) 2.128 .
H(29) H(32) 2.487 .
H(30) F(6) 3.051 3_665
H(30) O(3) 1.967 .
H(30) C(20) 3.359 .
H(30) C(21) 3.568 .
H(30) C(22) 2.869 2_654
H(30) C(23) 1.957 .
H(30) C(23) 2.747 2_654
H(30) H(2) 2.932 3_665
H(30) H(27) 2.972 .
H(30) H(28) 3.347 .
H(30) H(29) 1.551 .
H(30) H(29) 3.359 2_654
H(30) H(30) 3.593 2_654
H(30) H(31) 2.686 .
H(30) H(31) 2.834 2_654
H(30) H(32) 2.131 .
H(31) O(2) 3.428 2_654
H(31) O(3) 2.749 .
H(31) C(2) 3.537 4_554
H(31) C(3) 3.206 4_554
H(31) C(22) 1.963 .
H(31) C(22) 2.707 2_654
H(31) C(23) 2.031 2_654
H(31) H(3) 3.183 4_554
H(31) H(27) 2.811 2_654
H(31) H(29) 2.128 .
H(31) H(30) 2.686 .
H(31) H(30) 2.834 2_654
H(31) H(31) 2.768 2_654
H(31) H(32) 1.551 .
H(31) H(32) 2.226 2_654
H(32) F(1) 3.411 3_655
H(32) F(3) 2.999 3_655
H(32) F(5) 3.464 3_655
H(32) O(3) 3.081 .
H(32) C(22) 1.985 .
H(32) C(22) 3.102 2_654
H(32) C(23) 2.042 2_654
H(32) H(3) 3.227 4_554
H(32) H(27) 3.227 .
H(32) H(28) 3.551 .
H(32) H(29) 2.487 .
H(32) H(30) 2.131 .
H(32) H(31) 1.551 .
H(32) H(31) 2.226 2_654
H(32) H(32) 2.507 2_654
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_3
_geom_torsion_site_symmetry_4
N(1) Cu(1) N(2) C(7) -4.3(2) . . .
N(1) Cu(1) N(2) C(8) -124.3(2) . . .
N(1) Cu(1) N(2) C(11) 115.1(2) . . .
N(2) Cu(1) N(1) C(1) 158.7(2) . . .
N(2) Cu(1) N(1) C(5) -10.7(2) . . .
N(1) Cu(1) N(3) C(10) 132.5(5) . . .
N(1) Cu(1) N(3) C(13) -108.2(5) . . .
N(1) Cu(1) N(3) C(14) 14.9(7) . . .
N(3) Cu(1) N(1) C(1) -31.1(7) . . .
N(3) Cu(1) N(1) C(5) 159.5(4) . . .
N(2) Cu(1) N(3) C(10) -57.0(2) . . .
N(2) Cu(1) N(3) C(13) 62.3(2) . . .
N(2) Cu(1) N(3) C(14) -174.6(2) . . .
N(3) Cu(1) N(2) C(7) 178.0(2) . . .
N(3) Cu(1) N(2) C(8) 58.1(2) . . .
N(3) Cu(1) N(2) C(11) -62.5(2) . . .
C(22) O(3) C(22) C(23) 9.9(11) . 2_654 2_654
C(22) O(3) C(22) C(23) 9.9(10) 2_654 . .
Cu(1) N(1) C(1) C(2) -168.5(3) . . .
Cu(1) N(1) C(5) C(4) 168.5(2) . . .
Cu(1) N(1) C(5) C(6) -13.7(4) . . .
C(1) N(1) C(5) C(4) -1.1(5) . . .
C(1) N(1) C(5) C(6) 176.7(3) . . .
C(5) N(1) C(1) C(2) 1.0(5) . . .
Cu(1) N(2) C(7) C(6) 41.8(3) . . .
Cu(1) N(2) C(8) C(9) -61.7(3) . . .
Cu(1) N(2) C(11) C(12) 11.6(4) . . .
C(7) N(2) C(8) C(9) 178.6(3) . . .
C(8) N(2) C(7) C(6) 162.4(3) . . .
C(7) N(2) C(11) C(12) 130.0(3) . . .
C(11) N(2) C(7) C(6) -75.3(4) . . .
C(8) N(2) C(11) C(12) -108.7(3) . . .
C(11) N(2) C(8) C(9) 56.5(3) . . .
Cu(1) N(3) C(10) C(9) 67.5(3) . . .
Cu(1) N(3) C(13) C(12) -14.4(3) . . .
Cu(1) N(3) C(14) C(15) -46.4(4) . . .
C(10) N(3) C(13) C(12) 103.8(3) . . .
C(13) N(3) C(10) C(9) -50.5(4) . . .
C(10) N(3) C(14) C(15) -165.8(3) . . .
C(14) N(3) C(10) C(9) -168.5(3) . . .
C(13) N(3) C(14) C(15) 75.9(4) . . .
C(14) N(3) C(13) C(12) -141.0(3) . . .
O(1) N(4) C(19) C(18) -5.0(5) . . .
O(1) N(4) C(19) C(20) 174.9(3) . . .
O(2) N(4) C(19) C(18) 176.0(3) . . .
O(2) N(4) C(19) C(20) -4.1(5) . . .
N(1) C(1) C(2) C(3) -0.2(5) . . .
C(1) C(2) C(3) C(4) -0.4(6) . . .
C(2) C(3) C(4) C(5) 0.3(5) . . .
C(3) C(4) C(5) N(1) 0.5(5) . . .
C(3) C(4) C(5) C(6) -177.3(3) . . .
N(1) C(5) C(6) C(7) 61.1(4) . . .
C(4) C(5) C(6) C(7) -121.2(3) . . .
C(5) C(6) C(7) N(2) -78.4(4) . . .
N(2) C(8) C(9) C(10) 59.0(4) . . .
C(8) C(9) C(10) N(3) -62.2(4) . . .
N(2) C(11) C(12) C(13) 58.4(5) . . .
C(11) C(12) C(13) N(3) -59.9(5) . . .
N(3) C(14) C(15) C(16) 178.7(3) . . .
C(14) C(15) C(16) C(17) -106.7(4) . . .
C(14) C(15) C(16) C(21) 73.8(5) . . .
C(15) C(16) C(17) C(18) -179.5(4) . . .
C(15) C(16) C(21) C(20) 179.9(3) . . .
C(17) C(16) C(21) C(20) 0.4(6) . . .
C(21) C(16) C(17) C(18) 0.0(6) . . .
C(16) C(17) C(18) C(19) -0.2(5) . . .
C(17) C(18) C(19) N(4) 179.7(3) . . .
C(17) C(18) C(19) C(20) -0.1(5) . . .
N(4) C(19) C(20) C(21) -179.3(3) . . .
C(18) C(19) C(20) C(21) 0.6(6) . . .
C(19) C(20) C(21) C(16) -0.7(6) . . .
O(3) C(22) C(23) C(23) -24.7(11) . . 2_654
C(22) C(23) C(23) C(22) 30.3(12) . 2_654 2_654
