#------------------------------------------------------------------------------
#$Date: 2020-07-06 05:55:05 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253862 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/45/7704573.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_7704573
loop_
_publ_author_name
'Kordestani, Nazanin'
'Amiri Rudbari, Hadi'
'Bruno, Giuseppe'
'Rosario, Scopelliti'
'Braun, Jason D.'
'Herbert, David E.'
'Blacque, Olivier'
'Correia, Isabel'
'Zaman, Mohammad Al-Moktadir'
'Bindu, Mortuza Mamun'
'Janiak, Christoph'
'Enamullah, Mohammed'
_publ_section_title
;
 Solid-state to solution helicity inversion of pseudotetrahedral chiral
 copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8247
_journal_page_last               8264
_journal_paper_doi               10.1039/d0dt01649g
_journal_volume                  49
_journal_year                    2020
_chemical_absolute_configuration rmad
_chemical_formula_sum            'C30 H24 Cl4 Cu N2 O2'
_chemical_formula_weight         649.85
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-11-09 deposited with the CCDC.	2020-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.8710(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.6322(2)
_cell_length_b                   14.8439(3)
_cell_length_c                   11.1572(3)
_cell_measurement_reflns_used    9726
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      29.59
_cell_measurement_theta_min      2.30
_cell_volume                     1416.16(6)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            79451
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.581
_diffrn_reflns_theta_min         2.297
_exptl_absorpt_coefficient_mu    1.180
_exptl_absorpt_correction_T_max  0.814
_exptl_absorpt_correction_T_min  0.639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2008'
_exptl_crystal_colour            'dark black'
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             662
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.594
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.082
_refine_ls_abs_structure_details
;
 Flack x determined using 3767 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.005(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         10276
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0434P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0659
_refine_ls_wR_factor_ref         0.0729
_reflns_Friedel_coverage         0.935
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                8716
_reflns_number_total             10276
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01649g2.cif
_cod_data_source_block           shelx_CCDC5
_cod_depositor_comments
'Adding full bibliography for 7704565--7704573.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7704573
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.68563(3) 0.58174(2) 0.56929(2) 0.02621(6) Uani 1 1 d . . . . .
Cl1 Cl 0.43951(7) 0.61740(6) 0.16975(5) 0.04841(17) Uani 1 1 d . . . . .
Cl2 Cl -0.12205(7) 0.65320(5) 0.32352(6) 0.04471(15) Uani 1 1 d . . . . .
N1 N 0.5263(2) 0.62390(13) 0.66846(14) 0.0261(3) Uani 1 1 d . . . . .
C22 C 0.9583(2) 0.55393(15) 0.73678(19) 0.0287(4) Uani 1 1 d . . . . .
Cl3 Cl 1.03251(9) 0.68664(5) 0.90028(7) 0.05144(17) Uani 1 1 d . . . . .
Cl4 Cl 1.26013(13) 0.35074(7) 0.96919(9) 0.0787(3) Uani 1 1 d . . . . .
O1 O 0.55478(17) 0.59936(11) 0.42223(13) 0.0296(3) Uani 1 1 d . . . . .
O2 O 0.86426(18) 0.61237(11) 0.67968(14) 0.0320(3) Uani 1 1 d . . . . .
N2 N 0.7914(2) 0.47342(13) 0.51201(16) 0.0286(4) Uani 1 1 d . . . . .
C8 C 0.5781(3) 0.63786(16) 0.80009(17) 0.0289(4) Uani 1 1 d . . . . .
H8 H 0.673444 0.674417 0.806379 0.035 Uiso 1 1 calc R U . . .
C10 C 0.6247(3) 0.54860(19) 0.8603(2) 0.0363(5) Uani 1 1 d . . . . .
C15 C 0.5761(5) 0.4668(2) 0.8105(3) 0.0557(8) Uani 1 1 d . . . . .
H15 H 0.508476 0.464362 0.738082 0.067 Uiso 1 1 calc R U . . .
C14 C 0.6294(7) 0.3872(3) 0.8700(4) 0.0849(14) Uani 1 1 d . . . . .
H14 H 0.599558 0.331737 0.835486 0.102 Uiso 1 1 calc R U . . .
C13 C 0.7243(6) 0.3904(4) 0.9774(5) 0.0926(18) Uani 1 1 d . . . . .
H13 H 0.758251 0.336988 1.016002 0.111 Uiso 1 1 calc R U . . .
C12 C 0.7708(5) 0.4714(4) 1.0298(4) 0.0811(14) Uani 1 1 d . . . . .
H12 H 0.835326 0.472979 1.103660 0.097 Uiso 1 1 calc R U . . .
C11 C 0.7206(3) 0.5511(3) 0.9713(3) 0.0551(8) Uani 1 1 d . . . . .
H11 H 0.751123 0.606219 1.006527 0.066 Uiso 1 1 calc R U . . .
C1 C 0.3807(3) 0.63179(16) 0.62679(19) 0.0294(4) Uani 1 1 d . . . . .
H1 H 0.312141 0.642386 0.682689 0.035 Uiso 1 1 calc R U . . .
C2 C 0.3133(2) 0.62571(16) 0.50059(18) 0.0272(4) Uani 1 1 d . . . . .
C4 C 0.0800(2) 0.64123(17) 0.3563(2) 0.0327(4) Uani 1 1 d . . . . .
C5 C 0.1681(3) 0.63614(19) 0.2609(2) 0.0348(5) Uani 1 1 d . . . . .
H5 H 0.120240 0.640722 0.181183 0.042 Uiso 1 1 calc R U . . .
C6 C 0.3272(3) 0.62420(18) 0.28681(18) 0.0306(4) Uani 1 1 d . . . . .
C7 C 0.4068(2) 0.61493(15) 0.40612(18) 0.0261(4) Uani 1 1 d . . . . .
C17 C 0.9801(3) 0.46560(16) 0.6953(2) 0.0332(5) Uani 1 1 d . . . . .
C16 C 0.9033(3) 0.43385(17) 0.5798(2) 0.0352(5) Uani 1 1 d . . . . .
H16 H 0.938292 0.379494 0.551925 0.042 Uiso 1 1 calc R U . . .
C23 C 0.7219(3) 0.43143(16) 0.3965(2) 0.0310(4) Uani 1 1 d . . . . .
H23 H 0.701409 0.480240 0.337357 0.037 Uiso 1 1 calc R U . . .
C25 C 0.5641(3) 0.39061(16) 0.4121(2) 0.0338(5) Uani 1 1 d . . . . .
C26 C 0.4454(3) 0.3912(2) 0.3148(3) 0.0451(6) Uani 1 1 d . . . . .
H26 H 0.462399 0.417439 0.242040 0.054 Uiso 1 1 calc R U . . .
C27 C 0.3008(3) 0.3526(2) 0.3255(3) 0.0568(8) Uani 1 1 d . . . . .
H27 H 0.222209 0.352571 0.259535 0.068 Uiso 1 1 calc R U . . .
C28 C 0.2733(4) 0.3142(2) 0.4338(4) 0.0569(8) Uani 1 1 d . . . . .
H28 H 0.176238 0.289300 0.441285 0.068 Uiso 1 1 calc R U . . .
C29 C 0.3913(4) 0.3132(2) 0.5300(3) 0.0528(7) Uani 1 1 d . . . . .
H29 H 0.374170 0.287276 0.602857 0.063 Uiso 1 1 calc R U . . .
C30 C 0.5358(3) 0.35078(18) 0.5189(2) 0.0409(5) Uani 1 1 d . . . . .
H30 H 0.614885 0.349143 0.584481 0.049 Uiso 1 1 calc R U . . .
C24 C 0.8274(3) 0.3639(2) 0.3439(2) 0.0421(6) Uani 1 1 d . . . . .
H24A H 0.773872 0.339972 0.269636 0.063 Uiso 1 1 calc R U . . .
H24B H 0.921564 0.393463 0.328476 0.063 Uiso 1 1 calc R U . . .
H24C H 0.853164 0.315697 0.400538 0.063 Uiso 1 1 calc R U . . .
C18 C 1.0767(3) 0.40393(19) 0.7660(2) 0.0429(6) Uani 1 1 d . . . . .
H18 H 1.089232 0.345879 0.737492 0.051 Uiso 1 1 calc R U . . .
C19 C 1.1525(3) 0.4293(2) 0.8771(3) 0.0451(6) Uani 1 1 d . . . . .
C20 C 1.1427(3) 0.5166(2) 0.9175(2) 0.0429(6) Uani 1 1 d . . . . .
H20 H 1.198879 0.534340 0.990815 0.051 Uiso 1 1 calc R U . . .
C21 C 1.0492(2) 0.5771(2) 0.84837(19) 0.0342(4) Uani 1 1 d . . . . .
C9 C 0.4635(3) 0.68915(19) 0.8673(2) 0.0391(5) Uani 1 1 d . . . . .
H9A H 0.506356 0.694911 0.951019 0.059 Uiso 1 1 calc R U . . .
H9B H 0.445584 0.747955 0.832362 0.059 Uiso 1 1 calc R U . . .
H9C H 0.366341 0.656860 0.860919 0.059 Uiso 1 1 calc R U . . .
C3 C 0.1500(2) 0.63698(17) 0.4738(2) 0.0308(4) Uani 1 1 d . . . . .
H3 H 0.089516 0.641546 0.536447 0.037 Uiso 1 1 calc R U . . .
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 O2 150.92(7) . . ?
O1 Cu1 N1 93.65(7) . . ?
O2 Cu1 N1 97.28(7) . . ?
O1 Cu1 N2 94.55(7) . . ?
O2 Cu1 N2 91.95(7) . . ?
N1 Cu1 N2 144.70(8) . . ?
C1 N1 C8 119.39(18) . . ?
C1 N1 Cu1 123.13(14) . . ?
C8 N1 Cu1 117.19(13) . . ?
O2 C22 C17 124.3(2) . . ?
O2 C22 C21 120.2(2) . . ?
C17 C22 C21 115.5(2) . . ?
C7 O1 Cu1 127.87(13) . . ?
C22 O2 Cu1 124.03(14) . . ?
C16 N2 C23 120.1(2) . . ?
C16 N2 Cu1 121.30(16) . . ?
C23 N2 Cu1 117.92(14) . . ?
N1 C8 C10 109.97(19) . . ?
N1 C8 C9 115.27(19) . . ?
C10 C8 C9 111.66(18) . . ?
N1 C8 H8 106.5 . . ?
C10 C8 H8 106.5 . . ?
C9 C8 H8 106.5 . . ?
C15 C10 C11 119.6(3) . . ?
C15 C10 C8 123.0(2) . . ?
C11 C10 C8 117.4(3) . . ?
C10 C15 C14 119.3(4) . . ?
C10 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C13 C14 C15 120.6(4) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C13 C12 120.8(3) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C13 C12 C11 119.4(4) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C12 C11 C10 120.2(4) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
N1 C1 C2 126.03(19) . . ?
N1 C1 H1 117.0 . . ?
C2 C1 H1 117.0 . . ?
C3 C2 C7 120.61(18) . . ?
C3 C2 C1 117.04(18) . . ?
C7 C2 C1 122.22(18) . . ?
C3 C4 C5 121.0(2) . . ?
C3 C4 Cl2 120.26(17) . . ?
C5 C4 Cl2 118.72(17) . . ?
C6 C5 C4 118.7(2) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
C5 C6 C7 123.44(19) . . ?
C5 C6 Cl1 119.63(16) . . ?
C7 C6 Cl1 116.92(16) . . ?
O1 C7 C6 119.51(18) . . ?
O1 C7 C2 124.80(18) . . ?
C6 C7 C2 115.68(18) . . ?
C18 C17 C22 121.1(2) . . ?
C18 C17 C16 116.9(2) . . ?
C22 C17 C16 122.0(2) . . ?
N2 C16 C17 126.3(2) . . ?
N2 C16 H16 116.8 . . ?
C17 C16 H16 116.8 . . ?
N2 C23 C25 109.31(18) . . ?
N2 C23 C24 114.78(19) . . ?
C25 C23 C24 111.9(2) . . ?
N2 C23 H23 106.8 . . ?
C25 C23 H23 106.8 . . ?
C24 C23 H23 106.8 . . ?
C30 C25 C26 118.6(3) . . ?
C30 C25 C23 122.4(2) . . ?
C26 C25 C23 119.0(2) . . ?
C25 C26 C27 120.3(3) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C28 C27 C26 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 119.2(3) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C28 C29 C30 120.4(3) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 121.1(3) . . ?
C25 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C19 C18 C17 120.1(3) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 120.7(2) . . ?
C18 C19 Cl4 120.0(2) . . ?
C20 C19 Cl4 119.3(2) . . ?
C21 C20 C19 119.3(2) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C20 C21 C22 123.1(3) . . ?
C20 C21 Cl3 119.60(18) . . ?
C22 C21 Cl3 117.2(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C3 C2 120.4(2) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O1 1.8785(14) . ?
Cu1 O2 1.8924(15) . ?
Cu1 N1 1.9807(17) . ?
Cu1 N2 1.9970(19) . ?
Cl1 C6 1.733(2) . ?
Cl2 C4 1.742(2) . ?
N1 C1 1.285(3) . ?
N1 C8 1.490(2) . ?
C22 O2 1.295(3) . ?
C22 C17 1.412(3) . ?
C22 C21 1.420(3) . ?
Cl3 C21 1.739(3) . ?
Cl4 C19 1.737(3) . ?
O1 C7 1.286(2) . ?
N2 C16 1.285(3) . ?
N2 C23 1.482(3) . ?
C8 C10 1.515(3) . ?
C8 C9 1.525(3) . ?
C8 H8 0.9800 . ?
C10 C15 1.377(5) . ?
C10 C11 1.392(4) . ?
C15 C14 1.402(5) . ?
C15 H15 0.9300 . ?
C14 C13 1.357(7) . ?
C14 H14 0.9300 . ?
C13 C12 1.373(8) . ?
C13 H13 0.9300 . ?
C12 C11 1.391(5) . ?
C12 H12 0.9300 . ?
C11 H11 0.9300 . ?
C1 C2 1.451(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.410(3) . ?
C2 C7 1.422(3) . ?
C4 C3 1.368(3) . ?
C4 C5 1.392(3) . ?
C5 C6 1.376(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.419(3) . ?
C17 C18 1.406(3) . ?
C17 C16 1.444(3) . ?
C16 H16 0.9300 . ?
C23 C25 1.522(3) . ?
C23 C24 1.525(3) . ?
C23 H23 0.9800 . ?
C25 C30 1.382(4) . ?
C25 C26 1.387(4) . ?
C26 C27 1.394(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.385(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.375(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.387(4) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C18 C19 1.373(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.378(4) . ?
C20 C21 1.372(4) . ?
C20 H20 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C3 H3 0.9300 . ?
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
O2 Cu1 O1 C7 -124.33(19) . . . . ?
N1 Cu1 O1 C7 -12.26(19) . . . . ?
N2 Cu1 O1 C7 133.36(18) . . . . ?
C17 C22 O2 Cu1 25.3(3) . . . . ?
C21 C22 O2 Cu1 -155.24(16) . . . . ?
O1 Cu1 O2 C22 -137.22(17) . . . . ?
N1 Cu1 O2 C22 111.59(17) . . . . ?
N2 Cu1 O2 C22 -34.25(18) . . . . ?
C1 N1 C8 C10 108.5(2) . . . . ?
Cu1 N1 C8 C10 -65.5(2) . . . . ?
C1 N1 C8 C9 -18.8(3) . . . . ?
Cu1 N1 C8 C9 167.23(17) . . . . ?
N1 C8 C10 C15 -20.1(3) . . . . ?
C9 C8 C10 C15 109.1(3) . . . . ?
N1 C8 C10 C11 160.1(2) . . . . ?
C9 C8 C10 C11 -70.6(3) . . . . ?
C11 C10 C15 C14 -2.7(5) . . . . ?
C8 C10 C15 C14 177.6(3) . . . . ?
C10 C15 C14 C13 2.0(6) . . . . ?
C15 C14 C13 C12 -0.4(7) . . . . ?
C14 C13 C12 C11 -0.4(7) . . . . ?
C13 C12 C11 C10 -0.4(6) . . . . ?
C15 C10 C11 C12 2.0(4) . . . . ?
C8 C10 C11 C12 -178.3(3) . . . . ?
C8 N1 C1 C2 176.0(2) . . . . ?
Cu1 N1 C1 C2 -10.3(3) . . . . ?
N1 C1 C2 C3 -179.6(2) . . . . ?
N1 C1 C2 C7 -3.7(4) . . . . ?
C3 C4 C5 C6 1.8(4) . . . . ?
Cl2 C4 C5 C6 -178.2(2) . . . . ?
C4 C5 C6 C7 1.3(4) . . . . ?
C4 C5 C6 Cl1 179.9(2) . . . . ?
Cu1 O1 C7 C6 -178.43(17) . . . . ?
Cu1 O1 C7 C2 2.8(3) . . . . ?
C5 C6 C7 O1 176.4(2) . . . . ?
Cl1 C6 C7 O1 -2.1(3) . . . . ?
C5 C6 C7 C2 -4.7(4) . . . . ?
Cl1 C6 C7 C2 176.69(18) . . . . ?
C3 C2 C7 O1 -176.0(2) . . . . ?
C1 C2 C7 O1 8.3(4) . . . . ?
C3 C2 C7 C6 5.3(3) . . . . ?
C1 C2 C7 C6 -170.5(2) . . . . ?
O2 C22 C17 C18 -175.8(2) . . . . ?
C21 C22 C17 C18 4.7(3) . . . . ?
O2 C22 C17 C16 3.3(4) . . . . ?
C21 C22 C17 C16 -176.1(2) . . . . ?
C23 N2 C16 C17 -178.7(2) . . . . ?
Cu1 N2 C16 C17 -8.1(4) . . . . ?
C18 C17 C16 N2 167.3(3) . . . . ?
C22 C17 C16 N2 -11.9(4) . . . . ?
C16 N2 C23 C25 104.0(3) . . . . ?
Cu1 N2 C23 C25 -67.0(2) . . . . ?
C16 N2 C23 C24 -22.7(3) . . . . ?
Cu1 N2 C23 C24 166.39(17) . . . . ?
N2 C23 C25 C30 -35.6(3) . . . . ?
C24 C23 C25 C30 92.7(3) . . . . ?
N2 C23 C25 C26 146.1(2) . . . . ?
C24 C23 C25 C26 -85.6(3) . . . . ?
C30 C25 C26 C27 0.3(4) . . . . ?
C23 C25 C26 C27 178.6(3) . . . . ?
C25 C26 C27 C28 0.8(5) . . . . ?
C26 C27 C28 C29 -1.1(5) . . . . ?
C27 C28 C29 C30 0.4(5) . . . . ?
C26 C25 C30 C29 -1.0(4) . . . . ?
C23 C25 C30 C29 -179.3(3) . . . . ?
C28 C29 C30 C25 0.6(5) . . . . ?
C22 C17 C18 C19 -0.4(4) . . . . ?
C16 C17 C18 C19 -179.6(3) . . . . ?
C17 C18 C19 C20 -3.9(5) . . . . ?
C17 C18 C19 Cl4 175.2(2) . . . . ?
C18 C19 C20 C21 3.5(4) . . . . ?
Cl4 C19 C20 C21 -175.6(2) . . . . ?
C19 C20 C21 C22 1.2(4) . . . . ?
C19 C20 C21 Cl3 178.5(2) . . . . ?
O2 C22 C21 C20 175.3(2) . . . . ?
C17 C22 C21 C20 -5.2(3) . . . . ?
O2 C22 C21 Cl3 -2.0(3) . . . . ?
C17 C22 C21 Cl3 177.47(17) . . . . ?
C5 C4 C3 C2 -1.1(4) . . . . ?
Cl2 C4 C3 C2 178.89(19) . . . . ?
C7 C2 C3 C4 -2.6(4) . . . . ?
C1 C2 C3 C4 173.4(2) . . . . ?
