#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:33:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179506 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/03/4340320.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_4340320
loop_
_publ_author_name
'He, Yuan-Chun'
'Yang, Jin'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 Series of solvent-induced single-crystal to single-crystal
 transformations with different sizes of solvent molecules.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7527
_journal_page_last               7533
_journal_paper_doi               10.1021/ic5008457
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C40 H50 Cu3 N28 O2'
_chemical_formula_sum            'C40 H50 Cu3 N28 O2'
_chemical_formula_weight         1145.70
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 92.625(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.1110(5)
_cell_length_b                   14.7910(4)
_cell_length_c                   15.6710(4)
_cell_measurement_reflns_used    5377
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      66.9507
_cell_measurement_theta_min      3.3715
_cell_volume                     3035.81(16)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12707
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         66.60
_diffrn_reflns_theta_min         4.11
_exptl_absorpt_coefficient_mu    1.679
_exptl_absorpt_correction_T_max  0.6987
_exptl_absorpt_correction_T_min  0.6693
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006) 
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blcok
_exptl_crystal_F_000             1178
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.094
_refine_diff_density_min         -1.015
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         5316
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0751
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1555P)²+2.2565P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2124
_refine_ls_wR_factor_ref         0.2246
_reflns_number_gt                4556
_reflns_number_total             5316
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic5008457_si_002.cif
_cod_data_source_block           Compound-(1b)
_cod_depositor_comments
'Adding full bibliography for 4340318--4340326.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4340320
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.5000 0.0000 0.5000 0.0279(3) Uani 1 2 d S . .
Cu2 Cu 0.52584(4) 0.19817(4) 0.39179(3) 0.0346(3) Uani 1 1 d . . .
C1 C 0.8871(4) 0.1789(3) 0.7997(3) 0.0532(13) Uani 1 1 d . . .
H1 H 0.9061 0.1412 0.8451 0.064 Uiso 1 1 calc R . .
C2 C 0.8181(4) 0.1473(3) 0.7384(3) 0.0555(13) Uani 1 1 d . . .
H2 H 0.7916 0.0891 0.7419 0.067 Uiso 1 1 calc R . .
C3 C 0.7886(4) 0.2037(3) 0.6711(3) 0.0402(10) Uani 1 1 d . . .
C4 C 0.8297(5) 0.2885(3) 0.6695(3) 0.0602(15) Uani 1 1 d . . .
H4 H 0.8109 0.3281 0.6254 0.072 Uiso 1 1 calc R . .
C5 C 0.8995(5) 0.3153(3) 0.7335(4) 0.0599(15) Uani 1 1 d . . .
H5 H 0.9269 0.3732 0.7316 0.072 Uiso 1 1 calc R . .
C6 C 0.7129(3) 0.1726(3) 0.6061(3) 0.0380(9) Uani 1 1 d . . .
C7 C 0.1690(4) 0.2480(3) 0.7649(3) 0.0532(12) Uani 1 1 d . . .
H7 H 0.1469 0.3024 0.7409 0.064 Uiso 1 1 calc R . .
C8 C 0.2352(5) 0.1951(3) 0.7206(3) 0.0562(14) Uani 1 1 d . . .
H8 H 0.2574 0.2138 0.6679 0.067 Uiso 1 1 calc R . .
C9 C 0.2682(4) 0.1135(3) 0.7558(3) 0.0398(9) Uani 1 1 d . . .
C10 C 0.2332(4) 0.0900(3) 0.8345(3) 0.0504(12) Uani 1 1 d . . .
H10 H 0.2542 0.0361 0.8603 0.061 Uiso 1 1 calc R . .
C11 C 0.1675(4) 0.1463(3) 0.8747(3) 0.0494(11) Uani 1 1 d . . .
H11 H 0.1444 0.1292 0.9275 0.059 Uiso 1 1 calc R . .
C12 C 0.3361(3) 0.0555(3) 0.7087(3) 0.0379(9) Uani 1 1 d . . .
C13 C 0.4677(5) 0.3112(4) 0.5642(4) 0.0664(15) Uani 1 1 d . . .
H13 H 0.4402 0.2537 0.5694 0.080 Uiso 1 1 calc R . .
C14 C 0.4989(8) 0.3070(6) 0.7176(5) 0.1018(15) Uani 1 1 d U . .
H14A H 0.5226 0.3478 0.7618 0.153 Uiso 1 1 calc R . .
H14B H 0.5436 0.2556 0.7166 0.153 Uiso 1 1 calc R . .
H14C H 0.4310 0.2872 0.7287 0.153 Uiso 1 1 calc R . .
C15 C 0.5415(8) 0.4421(6) 0.6326(5) 0.1025(15) Uani 1 1 d U . .
H15A H 0.5584 0.4622 0.6897 0.154 Uiso 1 1 calc R . .
H15B H 0.4929 0.4829 0.6058 0.154 Uiso 1 1 calc R . .
H15C H 0.6021 0.4408 0.6005 0.154 Uiso 1 1 calc R . .
N1 N 0.9283(3) 0.2611(2) 0.7972(2) 0.0407(8) Uani 1 1 d . . .
N2 N 0.6852(3) 0.2211(2) 0.5359(2) 0.0404(8) Uani 1 1 d . . .
N3 N 0.6162(3) 0.1694(2) 0.4959(2) 0.0357(8) Uani 1 1 d . . .
N4 N 0.6030(3) 0.0940(2) 0.5396(2) 0.0329(7) Uani 1 1 d . . .
N5 N 0.6640(3) 0.0938(2) 0.6098(2) 0.0380(8) Uani 1 1 d . . .
N6 N 0.1354(3) 0.2244(2) 0.8410(2) 0.0403(8) Uani 1 1 d . . .
N7 N 0.3784(3) 0.0820(2) 0.6367(2) 0.0399(8) Uani 1 1 d . . .
N8 N 0.4293(3) 0.0095(2) 0.6126(2) 0.0344(7) Uani 1 1 d . . .
N9 N 0.4187(3) -0.0573(2) 0.6670(2) 0.0365(8) Uani 1 1 d . . .
N10 N 0.3599(3) -0.0301(2) 0.7289(2) 0.0425(8) Uani 1 1 d . . .
N11 N 0.4170(3) 0.1249(3) 0.4422(2) 0.0447(8) Uani 1 1 d U A .
N12 N 0.3302(4) 0.1352(3) 0.4275(4) 0.0667(10) Uani 1 1 d U . .
N13 N 0.2461(9) 0.1284(9) 0.3874(11) 0.0671(11) Uani 0.415(16) 1 d PU A 1
N13' N 0.2464(11) 0.1633(13) 0.4443(14) 0.131(6) Uani 0.585(16) 1 d PU A 2
N14 N 0.4982(7) 0.3531(5) 0.6351(4) 0.1008(15) Uani 1 1 d U . .
O1 O 0.4729(4) 0.3424(3) 0.4917(3) 0.0751(12) Uani 1 1 d . . .
C18 C 0.326(2) -0.056(2) 1.0509(16) 0.272(5) Uani 1 1 d DU . .
C16 C 0.481(2) -0.163(2) 1.0711(17) 0.272(5) Uani 1 1 d DU . .
C17 C 0.417(2) -0.100(2) 1.1110(16) 0.272(5) Uani 1 1 d DU . .
C19 C 0.341(3) -0.125(2) 0.9767(16) 0.272(5) Uani 1 1 d U . .
C20 C 0.444(3) -0.169(2) 0.9896(17) 0.272(5) Uani 1 1 d DU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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
N4 Cu1 N4 180.00(19) 3_656 .
N4 Cu1 N8 89.39(13) 3_656 .
N4 Cu1 N8 90.61(13) . .
N4 Cu1 N8 90.61(13) 3_656 3_656
N4 Cu1 N8 89.39(13) . 3_656
N8 Cu1 N8 180.0 . 3_656
N4 Cu1 N11 97.68(13) 3_656 .
N4 Cu1 N11 82.32(13) . .
N8 Cu1 N11 93.43(13) . .
N8 Cu1 N11 86.57(13) 3_656 .
N4 Cu1 N11 82.32(13) 3_656 3_656
N4 Cu1 N11 97.68(13) . 3_656
N8 Cu1 N11 86.57(13) . 3_656
N8 Cu1 N11 93.43(13) 3_656 3_656
N11 Cu1 N11 180.00(18) . 3_656
N11 Cu2 N1 90.70(15) . 4_565
N11 Cu2 N3 88.24(15) . .
N1 Cu2 N3 172.81(15) 4_565 .
N11 Cu2 N6 178.72(16) . 4_665
N1 Cu2 N6 88.84(15) 4_565 4_665
N3 Cu2 N6 92.07(14) . 4_665
N11 Cu2 N9 85.11(15) . 3_656
N1 Cu2 N9 99.85(14) 4_565 3_656
N3 Cu2 N9 87.15(13) . 3_656
N6 Cu2 N9 96.14(14) 4_665 3_656
N1 C1 C2 123.1(4) . .
N1 C1 H1 118.4 . .
C2 C1 H1 118.4 . .
C1 C2 C3 118.6(4) . .
C1 C2 H2 120.7 . .
C3 C2 H2 120.7 . .
C4 C3 C2 118.1(4) . .
C4 C3 C6 122.1(4) . .
C2 C3 C6 119.8(4) . .
C3 C4 C5 119.8(4) . .
C3 C4 H4 120.1 . .
C5 C4 H4 120.1 . .
N1 C5 C4 122.0(4) . .
N1 C5 H5 119.0 . .
C4 C5 H5 119.0 . .
N5 C6 N2 112.8(3) . .
N5 C6 C3 123.9(4) . .
N2 C6 C3 123.3(4) . .
N6 C7 C8 122.8(4) . .
N6 C7 H7 118.6 . .
C8 C7 H7 118.6 . .
C7 C8 C9 118.9(4) . .
C7 C8 H8 120.5 . .
C9 C8 H8 120.5 . .
C10 C9 C8 117.7(4) . .
C10 C9 C12 122.7(4) . .
C8 C9 C12 119.7(4) . .
C11 C10 C9 120.0(4) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
N6 C11 C10 122.6(4) . .
N6 C11 H11 118.7 . .
C10 C11 H11 118.7 . .
N10 C12 N7 112.0(4) . .
N10 C12 C9 125.2(4) . .
N7 C12 C9 122.7(4) . .
O1 C13 N14 125.1(6) . .
O1 C13 H13 117.5 . .
N14 C13 H13 117.5 . .
N14 C14 H14A 109.5 . .
N14 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
N14 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N14 C15 H15A 109.5 . .
N14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C5 N1 C1 118.3(4) . .
C5 N1 Cu2 121.8(3) . 4_666
C1 N1 Cu2 119.9(3) . 4_666
N3 N2 C6 103.4(3) . .
N2 N3 N4 110.2(3) . .
N2 N3 Cu2 128.7(3) . .
N4 N3 Cu2 120.7(2) . .
N3 N4 N5 110.0(3) . .
N3 N4 Cu1 121.5(2) . .
N5 N4 Cu1 128.5(3) . .
N4 N5 C6 103.6(3) . .
C11 N6 C7 118.0(4) . .
C11 N6 Cu2 123.5(3) . 4_566
C7 N6 Cu2 118.1(3) . 4_566
N8 N7 C12 103.7(3) . .
N9 N8 N7 110.6(3) . .
N9 N8 Cu1 125.2(2) . .
N7 N8 Cu1 123.9(3) . .
N8 N9 N10 109.1(3) . .
N8 N9 Cu2 111.0(2) . 3_656
N10 N9 Cu2 137.6(3) . 3_656
N9 N10 C12 104.5(3) . .
N12 N11 Cu2 124.5(3) . .
N12 N11 Cu1 128.5(3) . .
Cu2 N11 Cu1 105.00(16) . .
N11 N12 N13' 152.9(13) . .
N11 N12 N13 157.6(10) . .
N13' N12 N13 49.5(10) . .
C13 N14 C15 120.9(6) . .
C13 N14 C14 121.1(6) . .
C15 N14 C14 117.8(6) . .
C19 C18 C17 93(2) . .
C20 C16 C17 106(3) . .
C16 C17 C18 116(2) . .
C20 C19 C18 109(3) . .
C16 C20 C19 112(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N4 2.016(3) 3_656
Cu1 N4 2.016(3) .
Cu1 N8 2.035(3) .
Cu1 N8 2.035(3) 3_656
Cu1 N11 2.308(4) .
Cu1 N11 2.308(4) 3_656
Cu2 N11 1.984(4) .
Cu2 N1 2.006(3) 4_565
Cu2 N3 2.017(3) .
Cu2 N6 2.028(4) 4_665
Cu2 N9 2.405(3) 3_656
C1 N1 1.331(6) .
C1 C2 1.372(6) .
C1 H1 0.9300 .
C2 C3 1.386(6) .
C2 H2 0.9300 .
C3 C4 1.366(7) .
C3 C6 1.463(5) .
C4 C5 1.384(7) .
C4 H4 0.9300 .
C5 N1 1.323(6) .
C5 H5 0.9300 .
C6 N5 1.333(5) .
C6 N2 1.349(5) .
C7 N6 1.336(6) .
C7 C8 1.380(7) .
C7 H7 0.9300 .
C8 C9 1.389(7) .
C8 H8 0.9300 .
C9 C10 1.379(6) .
C9 C12 1.461(6) .
C10 C11 1.372(7) .
C10 H10 0.9300 .
C11 N6 1.329(6) .
C11 H11 0.9300 .
C12 N10 1.338(5) .
C12 N7 1.339(5) .
C13 O1 1.231(7) .
C13 N14 1.317(8) .
C13 H13 0.9300 .
C14 N14 1.462(10) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 N14 1.435(10) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
N1 Cu2 2.006(3) 4_666
N2 N3 1.321(5) .
N3 N4 1.325(5) .
N4 N5 1.329(4) .
N6 Cu2 2.028(4) 4_566
N7 N8 1.326(5) .
N8 N9 1.317(5) .
N9 N10 1.328(5) .
N9 Cu2 2.405(3) 3_656
N11 N12 1.161(6) .
N12 N13' 1.215(15) .
N12 N13 1.248(14) .
C18 C19 1.57(4) .
C18 C17 1.63(3) .
C16 C20 1.35(3) .
C16 C17 1.41(4) .
C19 C20 1.50(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_4
N1 C1 C2 C3 -0.8(9) . .
C1 C2 C3 C4 -0.3(9) . .
C1 C2 C3 C6 -178.3(5) . .
C2 C3 C4 C5 0.7(9) . .
C6 C3 C4 C5 178.6(6) . .
C3 C4 C5 N1 0.0(10) . .
C4 C3 C6 N5 -173.4(5) . .
C2 C3 C6 N5 4.6(8) . .
C4 C3 C6 N2 6.5(8) . .
C2 C3 C6 N2 -175.6(5) . .
N6 C7 C8 C9 0.4(9) . .
C7 C8 C9 C10 -0.6(8) . .
C7 C8 C9 C12 178.4(5) . .
C8 C9 C10 C11 0.6(8) . .
C12 C9 C10 C11 -178.3(5) . .
C9 C10 C11 N6 -0.4(8) . .
C10 C9 C12 N10 10.1(7) . .
C8 C9 C12 N10 -168.7(5) . .
C10 C9 C12 N7 -172.9(5) . .
C8 C9 C12 N7 8.2(7) . .
C4 C5 N1 C1 -1.0(9) . .
C4 C5 N1 Cu2 -177.9(5) . 4_666
C2 C1 N1 C5 1.4(9) . .
C2 C1 N1 Cu2 178.4(5) . 4_666
N5 C6 N2 N3 0.3(5) . .
C3 C6 N2 N3 -179.6(4) . .
C6 N2 N3 N4 0.1(5) . .
C6 N2 N3 Cu2 172.8(3) . .
N11 Cu2 N3 N2 -144.7(4) . .
N1 Cu2 N3 N2 -63.1(13) 4_565 .
N6 Cu2 N3 N2 34.1(4) 4_665 .
N9 Cu2 N3 N2 130.2(4) 3_656 .
N11 Cu2 N3 N4 27.4(3) . .
N1 Cu2 N3 N4 109.0(11) 4_565 .
N6 Cu2 N3 N4 -153.9(3) 4_665 .
N9 Cu2 N3 N4 -57.8(3) 3_656 .
N2 N3 N4 N5 -0.4(5) . .
Cu2 N3 N4 N5 -173.8(3) . .
N2 N3 N4 Cu1 178.0(3) . .
Cu2 N3 N4 Cu1 4.6(4) . .
N4 Cu1 N4 N3 -29(100) 3_656 .
N8 Cu1 N4 N3 -122.6(3) . .
N8 Cu1 N4 N3 57.4(3) 3_656 .
N11 Cu1 N4 N3 -29.3(3) . .
N11 Cu1 N4 N3 150.7(3) 3_656 .
N4 Cu1 N4 N5 149(100) 3_656 .
N8 Cu1 N4 N5 55.5(3) . .
N8 Cu1 N4 N5 -124.5(3) 3_656 .
N11 Cu1 N4 N5 148.9(4) . .
N11 Cu1 N4 N5 -31.1(4) 3_656 .
N3 N4 N5 C6 0.5(5) . .
Cu1 N4 N5 C6 -177.7(3) . .
N2 C6 N5 N4 -0.5(5) . .
C3 C6 N5 N4 179.3(4) . .
C10 C11 N6 C7 0.1(8) . .
C10 C11 N6 Cu2 172.5(4) . 4_566
C8 C7 N6 C11 -0.1(8) . .
C8 C7 N6 Cu2 -173.0(5) . 4_566
N10 C12 N7 N8 0.2(5) . .
C9 C12 N7 N8 -177.1(4) . .
C12 N7 N8 N9 -0.1(5) . .
C12 N7 N8 Cu1 173.5(3) . .
N4 Cu1 N8 N9 60.6(3) 3_656 .
N4 Cu1 N8 N9 -119.4(3) . .
N8 Cu1 N8 N9 -130(100) 3_656 .
N11 Cu1 N8 N9 158.3(3) . .
N11 Cu1 N8 N9 -21.7(3) 3_656 .
N4 Cu1 N8 N7 -112.1(3) 3_656 .
N4 Cu1 N8 N7 67.9(3) . .
N8 Cu1 N8 N7 58(100) 3_656 .
N11 Cu1 N8 N7 -14.4(3) . .
N11 Cu1 N8 N7 165.6(3) 3_656 .
N7 N8 N9 N10 0.0(5) . .
Cu1 N8 N9 N10 -173.5(3) . .
N7 N8 N9 Cu2 166.0(3) . 3_656
Cu1 N8 N9 Cu2 -7.5(4) . 3_656
N8 N9 N10 C12 0.1(5) . .
Cu2 N9 N10 C12 -160.4(3) 3_656 .
N7 C12 N10 N9 -0.2(5) . .
C9 C12 N10 N9 177.0(4) . .
N1 Cu2 N11 N12 -19.1(5) 4_565 .
N3 Cu2 N11 N12 153.8(5) . .
N6 Cu2 N11 N12 50(7) 4_665 .
N9 Cu2 N11 N12 -118.9(5) 3_656 .
N1 Cu2 N11 Cu1 146.00(17) 4_565 .
N3 Cu2 N11 Cu1 -41.12(17) . .
N6 Cu2 N11 Cu1 -145(7) 4_665 .
N9 Cu2 N11 Cu1 46.17(16) 3_656 .
N4 Cu1 N11 N12 27.0(5) 3_656 .
N4 Cu1 N11 N12 -153.0(5) . .
N8 Cu1 N11 N12 -62.9(5) . .
N8 Cu1 N11 N12 117.1(5) 3_656 .
N11 Cu1 N11 N12 154(100) 3_656 .
N4 Cu1 N11 Cu2 -137.29(17) 3_656 .
N4 Cu1 N11 Cu2 42.71(17) . .
N8 Cu1 N11 Cu2 132.86(18) . .
N8 Cu1 N11 Cu2 -47.14(18) 3_656 .
N11 Cu1 N11 Cu2 -10(100) 3_656 .
Cu2 N11 N12 N13' -101(2) . .
Cu1 N11 N12 N13' 98(2) . .
Cu2 N11 N12 N13 81.6(19) . .
Cu1 N11 N12 N13 -80(2) . .
O1 C13 N14 C15 0.0(14) . .
O1 C13 N14 C14 -173.5(8) . .
C20 C16 C17 C18 -1(4) . .
C19 C18 C17 C16 12(3) . .
C17 C18 C19 C20 -17(3) . .
C17 C16 C20 C19 -11(4) . .
C18 C19 C20 C16 20(4) . .
