#------------------------------------------------------------------------------
#$Date: 2017-07-11 14:26:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198632 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/06/4320600.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_4320600
loop_
_publ_author_name
'Brian A. Jazdzewski'
'Patrick L. Holland'
'Maren Pink'
'Victor G. Young'
'Douglas J. E. Spencer'
'William B. Tolman'
_publ_section_title
;
 Three-Coordinate Copper(II)-Phenolate Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6097
_journal_page_last               6107
_journal_paper_doi               10.1021/ic010615c
_journal_volume                  40
_journal_year                    2001
_chemical_compound_source        'Brian Jazdzewski'
_chemical_formula_sum            'C39 H53 Cl Cu N2 O'
_chemical_formula_weight         664.82
_chemical_name_common            00232a
_chemical_name_systematic        (Me2Ac-Cl)Cu(OPhtBu)
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 125.0890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.6875(18)
_cell_length_b                   20.0203(13)
_cell_length_c                   17.5872(11)
_cell_measurement_reflns_used    5001
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.05
_cell_measurement_theta_min      1.00
_cell_volume                     7400.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0604
_diffrn_reflns_av_sigmaI/netI    0.0885
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22937
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    0.693
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1999)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2840
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.402
_refine_diff_density_min         -0.418
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         8430
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.945
_refine_ls_R_factor_all          0.1034
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0519P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1140
_reflns_number_gt                4944
_reflns_number_total             8430
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010615c_3.cif
_cod_data_source_block           00232a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi-scans' was replaced
with the value 'multi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_database_code               4320600
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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 0.195415(15) 0.182387(17) 0.65006(2) 0.02782(10) Uani 1 1 d . . .
N1 N 0.10933(10) 0.18932(11) 0.55510(13) 0.0281(5) Uani 1 1 d . . .
N2 N 0.18615(9) 0.18769(10) 0.74934(13) 0.0246(5) Uani 1 1 d . . .
O1 O 0.27523(8) 0.17954(9) 0.67890(12) 0.0338(4) Uani 1 1 d . . .
Cl1 Cl 0.00528(3) 0.21572(4) 0.65192(5) 0.0438(2) Uani 1 1 d . . .
C1 C -0.00450(13) 0.20919(17) 0.47732(18) 0.0457(8) Uani 1 1 d . . .
H1A H -0.0033 0.2102 0.4227 0.069 Uiso 1 1 calc R . .
H1B H -0.0223 0.2512 0.4814 0.069 Uiso 1 1 calc R . .
H1C H -0.0311 0.1718 0.4718 0.069 Uiso 1 1 calc R . .
C2 C 0.06194(12) 0.20041(13) 0.56356(17) 0.0299(6) Uani 1 1 d . . .
C3 C 0.07333(12) 0.20392(13) 0.65158(17) 0.0280(6) Uani 1 1 d . . .
C4 C 0.13133(12) 0.19812(13) 0.73972(17) 0.0267(6) Uani 1 1 d . . .
C5 C 0.13166(13) 0.20540(15) 0.82556(17) 0.0364(7) Uani 1 1 d . . .
H5A H 0.1755 0.2022 0.8811 0.055 Uiso 1 1 calc R . .
H5B H 0.1059 0.1698 0.8267 0.055 Uiso 1 1 calc R . .
H5C H 0.1138 0.2489 0.8245 0.055 Uiso 1 1 calc R . .
C6 C 0.09958(12) 0.17928(14) 0.46663(16) 0.0299(6) Uani 1 1 d . . .
C7 C 0.08276(12) 0.11524(14) 0.42650(17) 0.0327(7) Uani 1 1 d . . .
C8 C 0.08123(13) 0.10539(16) 0.34666(18) 0.0388(7) Uani 1 1 d . . .
H8 H 0.0697 0.0628 0.3175 0.047 Uiso 1 1 calc R . .
C9 C 0.09610(14) 0.15597(17) 0.3092(2) 0.0447(8) Uani 1 1 d . . .
H9 H 0.0957 0.1476 0.2557 0.054 Uiso 1 1 calc R . .
C10 C 0.11153(15) 0.21874(16) 0.34870(19) 0.0443(8) Uani 1 1 d . . .
H10 H 0.1210 0.2533 0.3214 0.053 Uiso 1 1 calc R . .
C11 C 0.11350(13) 0.23227(15) 0.42828(18) 0.0354(7) Uani 1 1 d . . .
C12 C 0.06722(13) 0.05822(14) 0.46770(18) 0.0370(7) Uani 1 1 d . . .
H12 H 0.0568 0.0790 0.5091 0.044 Uiso 1 1 calc R . .
C13 C 0.12411(19) 0.0137(2) 0.5283(3) 0.0924(15) Uani 1 1 d . . .
H13A H 0.1604 0.0409 0.5751 0.139 Uiso 1 1 calc R . .
H13B H 0.1348 -0.0094 0.4898 0.139 Uiso 1 1 calc R . .
H13C H 0.1141 -0.0193 0.5592 0.139 Uiso 1 1 calc R . .
C14 C 0.0098(2) 0.0182(2) 0.3961(2) 0.0852(14) Uani 1 1 d . . .
H14A H -0.0266 0.0481 0.3588 0.128 Uiso 1 1 calc R . .
H14B H 0.0000 -0.0148 0.4274 0.128 Uiso 1 1 calc R . .
H14C H 0.0187 -0.0049 0.3556 0.128 Uiso 1 1 calc R . .
C15 C 0.12986(16) 0.30149(15) 0.4702(2) 0.0438(8) Uani 1 1 d . . .
H15 H 0.1229 0.3020 0.5206 0.053 Uiso 1 1 calc R . .
C16 C 0.08630(16) 0.35497(17) 0.3986(2) 0.0621(10) Uani 1 1 d . . .
H16A H 0.0982 0.3990 0.4284 0.093 Uiso 1 1 calc R . .
H16B H 0.0420 0.3454 0.3749 0.093 Uiso 1 1 calc R . .
H16C H 0.0910 0.3546 0.3471 0.093 Uiso 1 1 calc R . .
C17 C 0.19967(16) 0.31787(16) 0.5146(2) 0.0542(9) Uani 1 1 d . . .
H17A H 0.2089 0.3629 0.5413 0.081 Uiso 1 1 calc R . .
H17B H 0.2084 0.3159 0.4673 0.081 Uiso 1 1 calc R . .
H17C H 0.2265 0.2854 0.5637 0.081 Uiso 1 1 calc R . .
C18 C 0.24527(11) 0.18186(13) 0.84009(16) 0.0240(6) Uani 1 1 d . . .
C19 C 0.26430(12) 0.11927(13) 0.88333(17) 0.0282(6) Uani 1 1 d . . .
C20 C 0.32304(13) 0.11489(14) 0.96921(17) 0.0322(7) Uani 1 1 d . . .
H20 H 0.3367 0.0731 1.0003 0.039 Uiso 1 1 calc R . .
C21 C 0.36184(13) 0.17022(14) 1.01004(18) 0.0322(7) Uani 1 1 d . . .
H21 H 0.4016 0.1662 1.0686 0.039 Uiso 1 1 calc R . .
C22 C 0.34265(12) 0.23102(14) 0.96559(17) 0.0298(6) Uani 1 1 d . . .
H22 H 0.3698 0.2687 0.9937 0.036 Uiso 1 1 calc R . .
C23 C 0.28412(12) 0.23852(13) 0.88003(17) 0.0261(6) Uani 1 1 d . . .
C24 C 0.22329(15) 0.05738(14) 0.8400(2) 0.0428(8) Uani 1 1 d . . .
H24 H 0.1818 0.0718 0.7826 0.051 Uiso 1 1 calc R . .
C25 C 0.2090(2) 0.0234(2) 0.9015(3) 0.0977(16) Uani 1 1 d . . .
H25A H 0.1889 0.0552 0.9195 0.147 Uiso 1 1 calc R . .
H25B H 0.2486 0.0068 0.9572 0.147 Uiso 1 1 calc R . .
H25C H 0.1800 -0.0141 0.8680 0.147 Uiso 1 1 calc R . .
C26 C 0.2525(3) 0.0078(2) 0.8111(4) 0.130(2) Uani 1 1 d . . .
H26A H 0.2612 0.0294 0.7695 0.195 Uiso 1 1 calc R . .
H26B H 0.2230 -0.0295 0.7787 0.195 Uiso 1 1 calc R . .
H26C H 0.2923 -0.0090 0.8663 0.195 Uiso 1 1 calc R . .
C27 C 0.26556(13) 0.30645(13) 0.83362(19) 0.0366(7) Uani 1 1 d . . .
H27 H 0.2208 0.3033 0.7772 0.044 Uiso 1 1 calc R . .
C28 C 0.30786(16) 0.32505(15) 0.8014(2) 0.0530(9) Uani 1 1 d . . .
H28A H 0.2951 0.3688 0.7710 0.079 Uiso 1 1 calc R . .
H28B H 0.3032 0.2914 0.7575 0.079 Uiso 1 1 calc R . .
H28C H 0.3524 0.3268 0.8553 0.079 Uiso 1 1 calc R . .
C29 C 0.26765(15) 0.35993(15) 0.8963(2) 0.0512(9) Uani 1 1 d . . .
H29A H 0.2551 0.4029 0.8638 0.077 Uiso 1 1 calc R . .
H29B H 0.3109 0.3633 0.9530 0.077 Uiso 1 1 calc R . .
H29C H 0.2382 0.3481 0.9128 0.077 Uiso 1 1 calc R . .
C30 C 0.31209(12) 0.12469(14) 0.71033(17) 0.0286(6) Uani 1 1 d . . .
C31 C 0.36520(13) 0.12111(14) 0.80263(18) 0.0350(7) Uani 1 1 d . . .
H31 H 0.3755 0.1579 0.8431 0.042 Uiso 1 1 calc R . .
C32 C 0.40274(13) 0.06455(14) 0.83544(18) 0.0379(7) Uani 1 1 d . . .
H32 H 0.4383 0.0635 0.8986 0.046 Uiso 1 1 calc R . .
C33 C 0.39064(13) 0.00909(14) 0.77998(17) 0.0308(6) Uani 1 1 d . . .
C34 C 0.33895(13) 0.01407(14) 0.68759(18) 0.0317(6) Uani 1 1 d . . .
H34 H 0.3299 -0.0219 0.6465 0.038 Uiso 1 1 calc R . .
C35 C 0.30010(12) 0.07022(14) 0.65355(18) 0.0321(7) Uani 1 1 d . . .
H35 H 0.2647 0.0713 0.5903 0.039 Uiso 1 1 calc R . .
C36 C 0.43128(14) -0.05428(14) 0.82072(19) 0.0375(7) Uani 1 1 d . . .
C37 C 0.41388(17) -0.09059(16) 0.8807(2) 0.0579(10) Uani 1 1 d . . .
H37A H 0.4219 -0.0609 0.9306 0.087 Uiso 1 1 calc R . .
H37B H 0.4399 -0.1309 0.9076 0.087 Uiso 1 1 calc R . .
H37C H 0.3688 -0.1030 0.8418 0.087 Uiso 1 1 calc R . .
C38 C 0.50195(14) -0.03593(16) 0.8815(2) 0.0530(9) Uani 1 1 d . . .
H38A H 0.5126 -0.0104 0.8447 0.079 Uiso 1 1 calc R . .
H38B H 0.5276 -0.0768 0.9046 0.079 Uiso 1 1 calc R . .
H38C H 0.5109 -0.0088 0.9342 0.079 Uiso 1 1 calc R . .
C39 C 0.41970(15) -0.10297(15) 0.7454(2) 0.0470(8) Uani 1 1 d . . .
H39A H 0.3755 -0.1184 0.7097 0.071 Uiso 1 1 calc R . .
H39B H 0.4483 -0.1413 0.7745 0.071 Uiso 1 1 calc R . .
H39C H 0.4279 -0.0803 0.7038 0.071 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Cl Cl 0.1484 0.1585 '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
O1 Cu1 N1 145.72(8) . . ?
O1 Cu1 N2 117.77(8) . . ?
N1 Cu1 N2 96.26(9) . . ?
C2 N1 C6 122.9(2) . . ?
C2 N1 Cu1 127.31(17) . . ?
C6 N1 Cu1 109.79(16) . . ?
C4 N2 C18 121.1(2) . . ?
C4 N2 Cu1 125.02(17) . . ?
C18 N2 Cu1 113.88(15) . . ?
C30 O1 Cu1 123.94(16) . . ?
N1 C2 C3 120.6(2) . . ?
N1 C2 C1 119.2(2) . . ?
C3 C2 C1 120.2(2) . . ?
C2 C3 C4 128.9(2) . . ?
C2 C3 Cl1 115.56(19) . . ?
C4 C3 Cl1 115.48(19) . . ?
N2 C4 C3 121.6(2) . . ?
N2 C4 C5 119.3(2) . . ?
C3 C4 C5 119.1(2) . . ?
C7 C6 C11 122.4(2) . . ?
C7 C6 N1 118.8(2) . . ?
C11 C6 N1 118.5(2) . . ?
C8 C7 C6 117.2(3) . . ?
C8 C7 C12 120.6(3) . . ?
C6 C7 C12 122.2(2) . . ?
C9 C8 C7 121.5(3) . . ?
C8 C9 C10 120.5(3) . . ?
C9 C10 C11 121.0(3) . . ?
C10 C11 C6 117.4(3) . . ?
C10 C11 C15 120.4(3) . . ?
C6 C11 C15 122.2(2) . . ?
C14 C12 C13 111.2(3) . . ?
C14 C12 C7 113.6(2) . . ?
C13 C12 C7 111.5(3) . . ?
C11 C15 C17 111.3(3) . . ?
C11 C15 C16 111.9(3) . . ?
C17 C15 C16 111.0(3) . . ?
C19 C18 C23 121.7(2) . . ?
C19 C18 N2 119.4(2) . . ?
C23 C18 N2 118.8(2) . . ?
C20 C19 C18 117.8(2) . . ?
C20 C19 C24 119.9(2) . . ?
C18 C19 C24 122.2(2) . . ?
C21 C20 C19 121.3(2) . . ?
C22 C21 C20 119.9(2) . . ?
C21 C22 C23 121.3(3) . . ?
C22 C23 C18 117.9(2) . . ?
C22 C23 C27 119.2(2) . . ?
C18 C23 C27 122.9(2) . . ?
C25 C24 C26 108.9(3) . . ?
C25 C24 C19 113.4(3) . . ?
C26 C24 C19 111.9(3) . . ?
C29 C27 C23 111.9(2) . . ?
C29 C27 C28 111.2(2) . . ?
C23 C27 C28 110.3(2) . . ?
O1 C30 C35 122.2(2) . . ?
O1 C30 C31 120.4(2) . . ?
C35 C30 C31 117.4(2) . . ?
C32 C31 C30 120.5(3) . . ?
C31 C32 C33 122.8(3) . . ?
C34 C33 C32 116.2(3) . . ?
C34 C33 C36 122.8(2) . . ?
C32 C33 C36 121.0(2) . . ?
C33 C34 C35 121.9(3) . . ?
C30 C35 C34 121.2(2) . . ?
C38 C36 C39 108.7(2) . . ?
C38 C36 C33 110.1(2) . . ?
C39 C36 C33 112.4(2) . . ?
C38 C36 C37 109.2(2) . . ?
C39 C36 C37 107.6(3) . . ?
C33 C36 C37 108.8(2) . . ?
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 O1 1.8080(17) . ?
Cu1 N1 1.858(2) . ?
Cu1 N2 1.8959(19) . ?
N1 C2 1.327(3) . ?
N1 C6 1.441(3) . ?
N2 C4 1.335(3) . ?
N2 C18 1.442(3) . ?
O1 C30 1.344(3) . ?
Cl1 C3 1.767(3) . ?
C1 C2 1.506(3) . ?
C2 C3 1.402(3) . ?
C3 C4 1.408(3) . ?
C4 C5 1.512(3) . ?
C6 C7 1.406(4) . ?
C6 C11 1.409(4) . ?
C7 C8 1.396(3) . ?
C7 C12 1.523(4) . ?
C8 C9 1.377(4) . ?
C9 C10 1.379(4) . ?
C10 C11 1.398(4) . ?
C11 C15 1.511(4) . ?
C12 C14 1.506(4) . ?
C12 C13 1.508(4) . ?
C15 C17 1.524(4) . ?
C15 C16 1.537(4) . ?
C18 C19 1.400(3) . ?
C18 C23 1.404(3) . ?
C19 C20 1.395(3) . ?
C19 C24 1.518(4) . ?
C20 C21 1.383(4) . ?
C21 C22 1.376(3) . ?
C22 C23 1.395(3) . ?
C23 C27 1.515(3) . ?
C24 C25 1.492(4) . ?
C24 C26 1.497(5) . ?
C27 C29 1.516(4) . ?
C27 C28 1.532(4) . ?
C30 C35 1.388(4) . ?
C30 C31 1.398(3) . ?
C31 C32 1.380(4) . ?
C32 C33 1.390(4) . ?
C33 C34 1.390(3) . ?
C33 C36 1.534(4) . ?
C34 C35 1.390(4) . ?
C36 C38 1.530(4) . ?
C36 C39 1.529(4) . ?
C36 C37 1.543(4) . ?
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
O1 Cu1 N1 C2 -168.1(2) . . . . ?
N2 Cu1 N1 C2 5.1(2) . . . . ?
O1 Cu1 N1 C6 13.2(3) . . . . ?
N2 Cu1 N1 C6 -173.59(18) . . . . ?
O1 Cu1 N2 C4 171.60(19) . . . . ?
N1 Cu1 N2 C4 -4.1(2) . . . . ?
O1 Cu1 N2 C18 -6.2(2) . . . . ?
N1 Cu1 N2 C18 178.15(18) . . . . ?
N1 Cu1 O1 C30 -110.3(2) . . . . ?
N2 Cu1 O1 C30 77.3(2) . . . . ?
C6 N1 C2 C3 174.3(2) . . . . ?
Cu1 N1 C2 C3 -4.3(4) . . . . ?
C6 N1 C2 C1 -5.7(4) . . . . ?
Cu1 N1 C2 C1 175.7(2) . . . . ?
N1 C2 C3 C4 1.1(5) . . . . ?
C1 C2 C3 C4 -179.0(3) . . . . ?
N1 C2 C3 Cl1 -177.6(2) . . . . ?
C1 C2 C3 Cl1 2.3(4) . . . . ?
C18 N2 C4 C3 180.0(2) . . . . ?
Cu1 N2 C4 C3 2.4(4) . . . . ?
C18 N2 C4 C5 1.3(4) . . . . ?
Cu1 N2 C4 C5 -176.28(18) . . . . ?
C2 C3 C4 N2 -0.1(4) . . . . ?
Cl1 C3 C4 N2 178.6(2) . . . . ?
C2 C3 C4 C5 178.5(3) . . . . ?
Cl1 C3 C4 C5 -2.8(3) . . . . ?
C2 N1 C6 C7 -83.0(3) . . . . ?
Cu1 N1 C6 C7 95.8(2) . . . . ?
C2 N1 C6 C11 103.3(3) . . . . ?
Cu1 N1 C6 C11 -77.9(3) . . . . ?
C11 C6 C7 C8 1.0(4) . . . . ?
N1 C6 C7 C8 -172.5(2) . . . . ?
C11 C6 C7 C12 -179.5(2) . . . . ?
N1 C6 C7 C12 7.1(4) . . . . ?
C6 C7 C8 C9 0.6(4) . . . . ?
C12 C7 C8 C9 -179.0(3) . . . . ?
C7 C8 C9 C10 -1.6(5) . . . . ?
C8 C9 C10 C11 1.1(5) . . . . ?
C9 C10 C11 C6 0.4(4) . . . . ?
C9 C10 C11 C15 -179.4(3) . . . . ?
C7 C6 C11 C10 -1.5(4) . . . . ?
N1 C6 C11 C10 172.0(2) . . . . ?
C7 C6 C11 C15 178.3(3) . . . . ?
N1 C6 C11 C15 -8.2(4) . . . . ?
C8 C7 C12 C14 -44.0(4) . . . . ?
C6 C7 C12 C14 136.5(3) . . . . ?
C8 C7 C12 C13 82.6(4) . . . . ?
C6 C7 C12 C13 -97.0(3) . . . . ?
C10 C11 C15 C17 -70.1(3) . . . . ?
C6 C11 C15 C17 110.1(3) . . . . ?
C10 C11 C15 C16 54.7(4) . . . . ?
C6 C11 C15 C16 -125.1(3) . . . . ?
C4 N2 C18 C19 87.7(3) . . . . ?
Cu1 N2 C18 C19 -94.5(2) . . . . ?
C4 N2 C18 C23 -96.4(3) . . . . ?
Cu1 N2 C18 C23 81.5(2) . . . . ?
C23 C18 C19 C20 1.4(4) . . . . ?
N2 C18 C19 C20 177.2(2) . . . . ?
C23 C18 C19 C24 -178.8(2) . . . . ?
N2 C18 C19 C24 -2.9(4) . . . . ?
C18 C19 C20 C21 -0.9(4) . . . . ?
C24 C19 C20 C21 179.2(3) . . . . ?
C19 C20 C21 C22 -0.1(4) . . . . ?
C20 C21 C22 C23 0.8(4) . . . . ?
C21 C22 C23 C18 -0.3(4) . . . . ?
C21 C22 C23 C27 -179.4(2) . . . . ?
C19 C18 C23 C22 -0.8(4) . . . . ?
N2 C18 C23 C22 -176.6(2) . . . . ?
C19 C18 C23 C27 178.3(2) . . . . ?
N2 C18 C23 C27 2.4(4) . . . . ?
C20 C19 C24 C25 55.7(4) . . . . ?
C18 C19 C24 C25 -124.1(3) . . . . ?
C20 C19 C24 C26 -67.9(4) . . . . ?
C18 C19 C24 C26 112.2(4) . . . . ?
C22 C23 C27 C29 -55.7(3) . . . . ?
C18 C23 C27 C29 125.3(3) . . . . ?
C22 C23 C27 C28 68.6(3) . . . . ?
C18 C23 C27 C28 -110.4(3) . . . . ?
Cu1 O1 C30 C35 71.6(3) . . . . ?
Cu1 O1 C30 C31 -109.4(2) . . . . ?
O1 C30 C31 C32 179.2(2) . . . . ?
C35 C30 C31 C32 -1.6(4) . . . . ?
C30 C31 C32 C33 0.4(4) . . . . ?
C31 C32 C33 C34 1.6(4) . . . . ?
C31 C32 C33 C36 -176.4(3) . . . . ?
C32 C33 C34 C35 -2.5(4) . . . . ?
C36 C33 C34 C35 175.5(2) . . . . ?
O1 C30 C35 C34 179.9(2) . . . . ?
C31 C30 C35 C34 0.8(4) . . . . ?
C33 C34 C35 C30 1.3(4) . . . . ?
C34 C33 C36 C38 135.8(3) . . . . ?
C32 C33 C36 C38 -46.3(4) . . . . ?
C34 C33 C36 C39 14.5(4) . . . . ?
C32 C33 C36 C39 -167.6(3) . . . . ?
C34 C33 C36 C37 -104.6(3) . . . . ?
C32 C33 C36 C37 73.3(3) . . . . ?
