#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/27/7012716.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_7012716
loop_
_publ_author_name
'Ouyang, Xing-Mei'
'Liu, De-Jun'
'Okamura, Taka-aki'
'Bu, Hong-Wei'
'Sun, Wei-Yin'
'Tang, Wen-Xia'
'Ueyama, Norikazu'
_publ_section_title
;
 Syntheses, structures and photoluminescent properties of cadmium(ii),
 silver(i) and copper(i) complexes with novel long chain tetradentate
 ligands
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              1836
_journal_paper_doi               10.1039/b300479a
_journal_year                    2003
_chemical_formula_moiety         '[Cu(L2)]ClO4'
_chemical_formula_sum            'C24 H24 Cl Cu N6 O4'
_chemical_formula_weight         559.48
_chemical_melting_point          ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             'Sun Apr 15 21:32:26 2001'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.971(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7180(7)
_cell_length_b                   10.1127(7)
_cell_length_c                   19.0653(10)
_cell_measurement_reflns_used    12501
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.6
_cell_volume                     2501.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare, 1994)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_sigmaI/netI    0.6506
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            10204
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    1.023
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.670
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5701
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.670
_refine_ls_R_factor_all          0.1501
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0217P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0709
_reflns_number_gt                2025
_reflns_number_total             5701
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b300479a.txt
_cod_data_source_block           '[Cu(L2)]ClO4_(4)'
_cod_database_code               7012716
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.76404(4) 0.30916(4) 0.48526(2) 0.04077(14) Uani 1 1 d . . .
Cl1 Cl 0.69957(7) -0.20196(10) 0.67280(5) 0.0455(3) Uani 1 1 d . . .
O1 O 0.7680(2) -0.3092(3) 0.67500(13) 0.0832(9) Uani 1 1 d . . .
O2 O 0.6642(3) -0.2088(4) 0.73335(17) 0.1271(14) Uani 1 1 d . . .
O3 O 0.7503(3) -0.0803(3) 0.67736(19) 0.1104(12) Uani 1 1 d . . .
O4 O 0.6154(2) -0.2044(3) 0.60652(15) 0.1087(13) Uani 1 1 d . . .
N1 N 0.6964(2) 0.4662(2) 0.51146(15) 0.0342(7) Uani 1 1 d . . .
N2 N 0.8103(3) 0.4624(3) 0.41004(18) 0.0550(10) Uani 1 1 d . . .
N11 N 0.3910(2) -0.0014(3) 0.65084(14) 0.0347(7) Uani 1 1 d . . .
N12 N 0.2898(2) -0.1490(2) 0.57692(14) 0.0340(7) Uani 1 1 d . . .
N21 N 1.0264(2) -0.1330(3) 0.33094(14) 0.0333(7) Uani 1 1 d . . .
N22 N 1.1135(2) -0.2468(3) 0.43023(14) 0.0376(8) Uani 1 1 d . . .
C1 C 0.7400(3) 0.5889(3) 0.49207(18) 0.0493(11) Uani 1 1 d . . .
H1 H 0.8085 0.6054 0.5292 0.059 Uiso 1 1 calc R . .
H2 H 0.6947 0.6643 0.4936 0.059 Uiso 1 1 calc R . .
C2 C 0.7506(3) 0.5802(4) 0.4166(2) 0.0630(13) Uani 1 1 d . . .
H3 H 0.6812 0.5759 0.3788 0.076 Uiso 1 1 calc R . .
H4 H 0.7855 0.6606 0.4070 0.076 Uiso 1 1 calc R . .
C10 C 0.6365(3) 0.4795(3) 0.54967(17) 0.0362(9) Uani 1 1 d . . .
H5 H 0.6176 0.5671 0.5579 0.043 Uiso 1 1 calc R . .
C11 C 0.5940(3) 0.3722(3) 0.58200(18) 0.0311(9) Uani 1 1 d . . .
C12 C 0.5911(3) 0.2416(3) 0.56032(19) 0.0438(11) Uani 1 1 d . . .
H6 H 0.6148 0.2190 0.5202 0.053 Uiso 1 1 calc R . .
C13 C 0.5549(3) 0.1434(3) 0.59541(19) 0.0454(11) Uani 1 1 d . . .
H7 H 0.5545 0.0541 0.5797 0.054 Uiso 1 1 calc R . .
C14 C 0.5188(3) 0.1744(3) 0.65368(17) 0.0342(9) Uani 1 1 d . . .
C15 C 0.5200(3) 0.3036(4) 0.67454(16) 0.0426(9) Uani 1 1 d . . .
H8 H 0.4965 0.3260 0.7147 0.051 Uiso 1 1 calc R . .
C16 C 0.5548(3) 0.4031(4) 0.63844(19) 0.0460(10) Uani 1 1 d . . .
H9 H 0.5517 0.4927 0.6525 0.055 Uiso 1 1 calc R . .
C17 C 0.4850(3) 0.0652(3) 0.69585(18) 0.0417(10) Uani 1 1 d . . .
H10 H 0.5410 -0.0008 0.7131 0.050 Uiso 1 1 calc R . .
H11 H 0.4733 0.1038 0.7402 0.050 Uiso 1 1 calc R . .
C20 C 0.7957(3) 0.4183(3) 0.3463(2) 0.0439(10) Uani 1 1 d . . .
H15 H 0.7457 0.4614 0.3063 0.053 Uiso 1 1 calc R . .
C21 C 0.8498(3) 0.3053(4) 0.32872(17) 0.0347(8) Uani 1 1 d . . .
C22 C 0.8072(3) 0.2399(3) 0.26166(19) 0.0462(11) Uani 1 1 d . . .
H16 H 0.7444 0.2702 0.2270 0.055 Uiso 1 1 calc R . .
C23 C 0.8561(3) 0.1313(4) 0.24548(19) 0.0437(10) Uani 1 1 d . . .
H17 H 0.8253 0.0857 0.2001 0.052 Uiso 1 1 calc R . .
C24 C 0.9482(3) 0.0873(3) 0.29328(18) 0.0357(9) Uani 1 1 d . . .
C25 C 0.9921(3) 0.1549(3) 0.35968(18) 0.0430(10) Uani 1 1 d . . .
H18 H 1.0567 0.1268 0.3929 0.052 Uiso 1 1 calc R . .
C26 C 0.9432(3) 0.2624(3) 0.37791(18) 0.0413(10) Uani 1 1 d . . .
H19 H 0.9731 0.3066 0.4238 0.050 Uiso 1 1 calc R . .
C27 C 1.0022(3) -0.0306(3) 0.27377(16) 0.0411(10) Uani 1 1 d . . .
H20 H 0.9577 -0.0689 0.2264 0.049 Uiso 1 1 calc R . .
H21 H 1.0669 -0.0006 0.2664 0.049 Uiso 1 1 calc R . .
C101 C 0.3852(3) -0.1192(3) 0.61642(17) 0.0365(9) Uani 1 1 d . . .
H12 H 0.4430 -0.1739 0.6203 0.044 Uiso 1 1 calc R . .
C102 C 0.2318(3) -0.0446(4) 0.5866(2) 0.0467(10) Uani 1 1 d . . .
H13 H 0.1593 -0.0365 0.5645 0.056 Uiso 1 1 calc R . .
C103 C 0.2936(3) 0.0452(3) 0.6326(2) 0.0439(10) Uani 1 1 d . . .
H14 H 0.2726 0.1258 0.6489 0.053 Uiso 1 1 calc R . .
C201 C 1.1161(3) -0.1473(3) 0.38612(18) 0.0355(9) Uani 1 1 d . . .
H22 H 1.1745 -0.0923 0.3927 0.043 Uiso 1 1 calc R . .
C202 C 1.0165(3) -0.2980(4) 0.40138(18) 0.0461(10) Uani 1 1 d . . .
H23 H 0.9910 -0.3719 0.4209 0.055 Uiso 1 1 calc R . .
C203 C 0.9619(3) -0.2280(3) 0.3408(2) 0.0443(10) Uani 1 1 d . . .
H24 H 0.8923 -0.2423 0.3111 0.053 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'
Cu Cu 0.3201 1.2651 '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'
O O 0.0106 0.0060 '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
N1 Cu1 N12 133.18(12) . 3_656 ?
N1 Cu1 N22 112.70(11) . 3_756 ?
N12 Cu1 N22 105.79(11) 3_656 3_756 ?
N1 Cu1 N2 82.30(11) . . ?
N12 Cu1 N2 107.16(11) 3_656 . ?
N22 Cu1 N2 112.11(12) 3_756 . ?
O2 Cl1 O3 107.0(2) . . ?
O2 Cl1 O4 109.7(2) . . ?
O3 Cl1 O4 108.5(2) . . ?
O2 Cl1 O1 110.0(2) . . ?
O3 Cl1 O1 110.92(19) . . ?
O4 Cl1 O1 110.69(16) . . ?
C10 N1 C1 116.4(3) . . ?
C10 N1 Cu1 132.2(2) . . ?
C1 N1 Cu1 110.4(2) . . ?
C20 N2 C2 116.9(3) . . ?
C20 N2 Cu1 111.8(3) . . ?
C2 N2 Cu1 102.4(2) . . ?
C101 N11 C103 106.6(3) . . ?
C101 N11 C17 126.5(3) . . ?
C103 N11 C17 126.9(3) . . ?
C101 N12 C102 105.0(3) . . ?
C101 N12 Cu1 129.2(2) . 3_656 ?
C102 N12 Cu1 125.8(3) . 3_656 ?
C201 N21 C203 106.7(3) . . ?
C201 N21 C27 126.1(3) . . ?
C203 N21 C27 127.1(3) . . ?
C201 N22 C202 104.9(3) . . ?
C201 N22 Cu1 124.1(3) . 3_756 ?
C202 N22 Cu1 130.8(3) . 3_756 ?
N1 C1 C2 111.5(3) . . ?
N1 C1 H1 109.3 . . ?
C2 C1 H1 109.3 . . ?
N1 C1 H2 109.3 . . ?
C2 C1 H2 109.3 . . ?
H1 C1 H2 108.0 . . ?
N2 C2 C1 111.1(3) . . ?
N2 C2 H3 109.4 . . ?
C1 C2 H3 109.4 . . ?
N2 C2 H4 109.4 . . ?
C1 C2 H4 109.4 . . ?
H3 C2 H4 108.0 . . ?
N1 C10 C11 125.8(3) . . ?
N1 C10 H5 117.1 . . ?
C11 C10 H5 117.1 . . ?
C12 C11 C16 117.9(3) . . ?
C12 C11 C10 124.1(3) . . ?
C16 C11 C10 118.0(3) . . ?
C13 C12 C11 121.6(3) . . ?
C13 C12 H6 119.2 . . ?
C11 C12 H6 119.2 . . ?
C12 C13 C14 120.2(3) . . ?
C12 C13 H7 119.9 . . ?
C14 C13 H7 119.9 . . ?
C15 C14 C13 118.3(3) . . ?
C15 C14 C17 121.1(3) . . ?
C13 C14 C17 120.4(3) . . ?
C14 C15 C16 121.5(3) . . ?
C14 C15 H8 119.2 . . ?
C16 C15 H8 119.2 . . ?
C11 C16 C15 120.3(3) . . ?
C11 C16 H9 119.9 . . ?
C15 C16 H9 119.9 . . ?
N11 C17 C14 112.7(3) . . ?
N11 C17 H10 109.1 . . ?
C14 C17 H10 109.1 . . ?
N11 C17 H11 109.1 . . ?
C14 C17 H11 109.1 . . ?
H10 C17 H11 107.8 . . ?
N2 C20 C21 124.8(3) . . ?
N2 C20 H15 117.6 . . ?
C21 C20 H15 117.6 . . ?
C26 C21 C22 119.5(3) . . ?
C26 C21 C20 121.1(3) . . ?
C22 C21 C20 119.4(3) . . ?
C23 C22 C21 119.9(4) . . ?
C23 C22 H16 120.1 . . ?
C21 C22 H16 120.1 . . ?
C24 C23 C22 121.5(4) . . ?
C24 C23 H17 119.2 . . ?
C22 C23 H17 119.2 . . ?
C23 C24 C25 118.6(3) . . ?
C23 C24 C27 120.8(3) . . ?
C25 C24 C27 120.6(3) . . ?
C26 C25 C24 120.9(3) . . ?
C26 C25 H18 119.5 . . ?
C24 C25 H18 119.5 . . ?
C25 C26 C21 119.6(3) . . ?
C25 C26 H19 120.2 . . ?
C21 C26 H19 120.2 . . ?
N21 C27 C24 112.7(3) . . ?
N21 C27 H20 109.1 . . ?
C24 C27 H20 109.1 . . ?
N21 C27 H21 109.1 . . ?
C24 C27 H21 109.1 . . ?
H20 C27 H21 107.8 . . ?
N12 C101 N11 111.8(3) . . ?
N12 C101 H12 124.1 . . ?
N11 C101 H12 124.1 . . ?
C103 C102 N12 109.6(3) . . ?
C103 C102 H13 125.2 . . ?
N12 C102 H13 125.2 . . ?
N11 C103 C102 107.0(3) . . ?
N11 C103 H14 126.5 . . ?
C102 C103 H14 126.5 . . ?
N22 C201 N21 112.0(3) . . ?
N22 C201 H22 124.0 . . ?
N21 C201 H22 124.0 . . ?
C203 C202 N22 109.9(3) . . ?
C203 C202 H23 125.0 . . ?
N22 C202 H23 125.0 . . ?
C202 C203 N21 106.5(3) . . ?
C202 C203 H24 126.8 . . ?
N21 C203 H24 126.8 . . ?
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 N1 1.984(3) . ?
Cu1 N12 2.001(3) 3_656 ?
Cu1 N22 2.014(3) 3_756 ?
Cu1 N2 2.335(3) . ?
Cl1 O2 1.392(3) . ?
Cl1 O3 1.402(3) . ?
Cl1 O4 1.408(2) . ?
Cl1 O1 1.426(3) . ?
N1 C10 1.271(4) . ?
N1 C1 1.475(4) . ?
N2 C20 1.248(4) . ?
N2 C2 1.474(4) . ?
N11 C101 1.350(4) . ?
N11 C103 1.351(4) . ?
N11 C17 1.460(4) . ?
N12 C101 1.315(4) . ?
N12 C102 1.371(4) . ?
N12 Cu1 2.001(3) 3_656 ?
N21 C201 1.341(4) . ?
N21 C203 1.360(4) . ?
N21 C27 1.461(4) . ?
N22 C201 1.319(4) . ?
N22 C202 1.366(4) . ?
N22 Cu1 2.014(3) 3_756 ?
C1 C2 1.496(4) . ?
C1 H1 0.9900 . ?
C1 H2 0.9900 . ?
C2 H3 0.9900 . ?
C2 H4 0.9900 . ?
C10 C11 1.460(4) . ?
C10 H5 0.9500 . ?
C11 C12 1.380(4) . ?
C11 C16 1.386(4) . ?
C12 C13 1.378(4) . ?
C12 H6 0.9500 . ?
C13 C14 1.391(4) . ?
C13 H7 0.9500 . ?
C14 C15 1.365(5) . ?
C14 C17 1.524(4) . ?
C15 C16 1.388(4) . ?
C15 H8 0.9500 . ?
C16 H9 0.9500 . ?
C17 H10 0.9900 . ?
C17 H11 0.9900 . ?
C20 C21 1.460(5) . ?
C20 H15 0.9500 . ?
C21 C26 1.388(4) . ?
C21 C22 1.389(4) . ?
C22 C23 1.372(4) . ?
C22 H16 0.9500 . ?
C23 C24 1.370(4) . ?
C23 H17 0.9500 . ?
C24 C25 1.392(4) . ?
C24 C27 1.513(4) . ?
C25 C26 1.380(4) . ?
C25 H18 0.9500 . ?
C26 H19 0.9500 . ?
C27 H20 0.9900 . ?
C27 H21 0.9900 . ?
C101 H12 0.9500 . ?
C102 C103 1.352(4) . ?
C102 H13 0.9500 . ?
C103 H14 0.9500 . ?
C201 H22 0.9500 . ?
C202 C203 1.354(4) . ?
C202 H23 0.9500 . ?
C203 H24 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N12 Cu1 N1 C10 66.2(3) 3_656 . . . ?
N22 Cu1 N1 C10 -76.6(3) 3_756 . . . ?
N2 Cu1 N1 C10 172.6(3) . . . . ?
N12 Cu1 N1 C1 -125.3(2) 3_656 . . . ?
N22 Cu1 N1 C1 91.9(2) 3_756 . . . ?
N2 Cu1 N1 C1 -18.9(2) . . . . ?
N1 Cu1 N2 C20 -134.1(3) . . . . ?
N12 Cu1 N2 C20 -1.2(3) 3_656 . . . ?
N22 Cu1 N2 C20 114.4(3) 3_756 . . . ?
N1 Cu1 N2 C2 -8.2(2) . . . . ?
N12 Cu1 N2 C2 124.7(3) 3_656 . . . ?
N22 Cu1 N2 C2 -119.6(2) 3_756 . . . ?
C10 N1 C1 C2 -144.5(3) . . . . ?
Cu1 N1 C1 C2 45.0(4) . . . . ?
C20 N2 C2 C1 156.0(4) . . . . ?
Cu1 N2 C2 C1 33.5(4) . . . . ?
N1 C1 C2 N2 -54.2(5) . . . . ?
C1 N1 C10 C11 -172.7(3) . . . . ?
Cu1 N1 C10 C11 -4.8(5) . . . . ?
N1 C10 C11 C12 -17.4(6) . . . . ?
N1 C10 C11 C16 162.0(3) . . . . ?
C16 C11 C12 C13 -2.8(6) . . . . ?
C10 C11 C12 C13 176.6(3) . . . . ?
C11 C12 C13 C14 0.7(6) . . . . ?
C12 C13 C14 C15 0.3(5) . . . . ?
C12 C13 C14 C17 -176.1(3) . . . . ?
C13 C14 C15 C16 0.9(5) . . . . ?
C17 C14 C15 C16 177.2(3) . . . . ?
C12 C11 C16 C15 3.9(6) . . . . ?
C10 C11 C16 C15 -175.6(3) . . . . ?
C14 C15 C16 C11 -3.0(6) . . . . ?
C101 N11 C17 C14 100.4(4) . . . . ?
C103 N11 C17 C14 -76.2(4) . . . . ?
C15 C14 C17 N11 115.3(3) . . . . ?
C13 C14 C17 N11 -68.4(4) . . . . ?
C2 N2 C20 C21 178.1(3) . . . . ?
Cu1 N2 C20 C21 -64.4(4) . . . . ?
N2 C20 C21 C26 -19.9(6) . . . . ?
N2 C20 C21 C22 160.2(4) . . . . ?
C26 C21 C22 C23 1.8(5) . . . . ?
C20 C21 C22 C23 -178.2(3) . . . . ?
C21 C22 C23 C24 -1.9(5) . . . . ?
C22 C23 C24 C25 0.3(5) . . . . ?
C22 C23 C24 C27 -178.6(3) . . . . ?
C23 C24 C25 C26 1.3(5) . . . . ?
C27 C24 C25 C26 -179.8(3) . . . . ?
C24 C25 C26 C21 -1.3(5) . . . . ?
C22 C21 C26 C25 -0.3(5) . . . . ?
C20 C21 C26 C25 179.8(3) . . . . ?
C201 N21 C27 C24 -94.8(4) . . . . ?
C203 N21 C27 C24 82.0(4) . . . . ?
C23 C24 C27 N21 -125.9(3) . . . . ?
C25 C24 C27 N21 55.2(5) . . . . ?
C102 N12 C101 N11 0.1(4) . . . . ?
Cu1 N12 C101 N11 179.80(18) 3_656 . . . ?
C103 N11 C101 N12 0.6(4) . . . . ?
C17 N11 C101 N12 -176.6(3) . . . . ?
C101 N12 C102 C103 -0.7(4) . . . . ?
Cu1 N12 C102 C103 179.5(2) 3_656 . . . ?
C101 N11 C103 C102 -1.0(4) . . . . ?
C17 N11 C103 C102 176.2(3) . . . . ?
N12 C102 C103 N11 1.1(4) . . . . ?
C202 N22 C201 N21 -0.2(4) . . . . ?
Cu1 N22 C201 N21 175.1(2) 3_756 . . . ?
C203 N21 C201 N22 0.8(4) . . . . ?
C27 N21 C201 N22 178.2(3) . . . . ?
C201 N22 C202 C203 -0.5(4) . . . . ?
Cu1 N22 C202 C203 -175.4(2) 3_756 . . . ?
N22 C202 C203 N21 1.0(4) . . . . ?
C201 N21 C203 C202 -1.1(4) . . . . ?
C27 N21 C203 C202 -178.4(3) . . . . ?
