#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/78/1517822.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_1517822
loop_
_publ_author_name
'Jacob W. Uebler'
'Amy L. Pochodylo'
'Robert L. LaDuca'
_publ_section_title
;
 Copper glutarate coordination polymers with dipyridylamide ligands:
 Effect of donor disposition and steric bulk on structure
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              31
_journal_page_last               42
_journal_volume                  405
_journal_year                    2013
_chemical_formula_sum            'C21 H28 Cu2 N3 O12.5'
_chemical_formula_weight         649.54
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                105.078(3)
_cell_angle_beta                 90.123(3)
_cell_angle_gamma                107.139(3)
_cell_formula_units_Z            2
_cell_length_a                   8.531(2)
_cell_length_b                   12.570(4)
_cell_length_c                   13.252(4)
_cell_measurement_temperature    173(2)
_cell_volume                     1306.4(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.972
_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  0.1399
_diffrn_reflns_av_sigmaI/netI    0.1874
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            22928
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.57
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    1.697
_exptl_absorpt_correction_T_max  0.9200
_exptl_absorpt_correction_T_min  0.7624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   TWINABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             666
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.417
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         7345
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.1878
_refine_ls_R_factor_gt           0.0896
_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)+(0.1346P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2182
_refine_ls_wR_factor_ref         0.2621
_reflns_number_gt                3460
_reflns_number_total             7345
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-405-31-42-3.cif
_cod_data_source_block           twin5
_cod_original_cell_volume        1306.4(6)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C21 H28 Cu2 N3 O12.50'
_cod_database_code               1517822
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Cu1 Cu 0.50779(15) 0.40404(11) 0.02052(9) 0.0252(4) Uani 1 1 d .
Cu2 Cu 0.00930(14) 0.40511(11) 0.43273(9) 0.0255(4) Uani 1 1 d .
O1 O 0.2468(8) 0.4938(7) 0.4550(5) 0.0314(11) Uani 1 1 d .
O1W O 0.1506(13) 0.0970(10) -0.0783(9) 0.113(4) Uani 1 1 d .
O2 O 0.0177(9) 0.5144(7) -0.3282(5) 0.0357(19) Uani 1 1 d .
O2W O 0.2822(19) 0.1138(13) -0.2550(13) 0.180(7) Uani 1 1 d .
O3 O 0.4784(8) 0.4857(6) 0.1650(5) 0.0316(18) Uani 1 1 d .
O3W O 0.130(4) 0.0576(19) -0.450(3) 0.183(12) Uani 0.50 1 d P
O4 O 0.2307(7) 0.6559(6) 0.5623(5) 0.0314(11) Uani 1 1 d .
O4W O 0.286(4) -0.122(2) -0.494(3) 0.183(12) Uani 0.50 1 d P
O5 O 0.2583(9) 0.5095(7) -0.0415(5) 0.0345(12) Uani 1 1 d .
O5W O 0.511(3) 0.033(2) -0.3733(18) 0.111(9) Uani 0.50 1 d P
O6 O 0.2671(8) 0.3461(6) -0.0109(5) 0.0345(12) Uani 1 1 d .
O7 O 0.4740(9) 0.6506(7) 0.1308(5) 0.041(2) Uani 1 1 d .
O8 O 0.0305(9) 0.3517(6) -0.4431(5) 0.038(2) Uani 1 1 d .
O9 O 0.6957(14) 0.0732(9) -0.2093(10) 0.113(4) Uani 1 1 d D
N1 N 0.5680(9) 0.2641(7) 0.0622(6) 0.026(2) Uani 1 1 d .
N2 N 0.7368(11) 0.0234(8) -0.0524(7) 0.045(3) Uani 1 1 d D
H2 H 0.7680 -0.0254 -0.0262 0.054 Uiso 1 1 calc R
N3 N 0.9355(10) -0.2628(9) -0.3245(8) 0.043(3) Uani 1 1 d .
C1 C 0.3071(12) 0.5950(10) 0.5053(8) 0.0314(11) Uani 1 1 d .
C2 C 0.4836(11) 0.6525(9) 0.4984(7) 0.028(3) Uani 1 1 d .
H2A H 0.5508 0.6377 0.5511 0.034 Uiso 1 1 calc R
H2B H 0.5040 0.7371 0.5145 0.034 Uiso 1 1 calc R
C3 C 0.5366(11) 0.6075(9) 0.3874(7) 0.025(2) Uani 1 1 d .
H3A H 0.5163 0.5229 0.3710 0.030 Uiso 1 1 calc R
H3B H 0.6559 0.6447 0.3857 0.030 Uiso 1 1 calc R
C4 C 0.4373(12) 0.6353(9) 0.3029(7) 0.028(3) Uani 1 1 d .
H4A H 0.3183 0.6044 0.3105 0.034 Uiso 1 1 calc R
H4B H 0.4648 0.7204 0.3176 0.034 Uiso 1 1 calc R
C5 C 0.4686(11) 0.5870(10) 0.1910(8) 0.028(3) Uani 1 1 d .
C6 C 0.1926(13) 0.4069(10) -0.0411(8) 0.0345(12) Uani 1 1 d .
C7 C 0.0149(13) 0.3515(11) -0.0782(8) 0.042(3) Uani 1 1 d .
H7A H -0.0522 0.3685 -0.0187 0.050 Uiso 1 1 calc R
H7B H -0.0078 0.2665 -0.1023 0.050 Uiso 1 1 calc R
C8 C -0.0365(13) 0.3938(11) -0.1677(8) 0.042(3) Uani 1 1 d .
H8A H -0.0144 0.4787 -0.1441 0.051 Uiso 1 1 calc R
H8B H -0.1561 0.3574 -0.1875 0.051 Uiso 1 1 calc R
C9 C 0.0599(14) 0.3625(11) -0.2634(8) 0.042(3) Uani 1 1 d .
H9A H 0.1790 0.3906 -0.2405 0.051 Uiso 1 1 calc R
H9B H 0.0278 0.2772 -0.2907 0.051 Uiso 1 1 calc R
C10 C 0.0305(11) 0.4138(11) -0.3521(9) 0.031(3) Uani 1 1 d .
C11 C 0.6134(12) 0.1845(9) -0.0078(8) 0.032(3) Uani 1 1 d .
H11 H 0.5999 0.1806 -0.0799 0.039 Uiso 1 1 calc R
C12 C 0.6799(12) 0.1064(10) 0.0199(8) 0.033(3) Uani 1 1 d .
C13 C 0.6977(14) 0.1171(11) 0.1282(9) 0.048(3) Uani 1 1 d .
H13 H 0.7415 0.0657 0.1518 0.058 Uiso 1 1 calc R
C14 C 0.6532(18) 0.1997(11) 0.1985(9) 0.065(4) Uani 1 1 d .
H14 H 0.6664 0.2074 0.2715 0.078 Uiso 1 1 calc R
C15 C 0.5895(13) 0.2713(9) 0.1633(8) 0.035(3) Uani 1 1 d .
H15 H 0.5588 0.3295 0.2132 0.042 Uiso 1 1 calc R
C16 C 0.870(2) -0.0841(15) -0.2994(15) 0.102(6) Uani 1 1 d .
H16A H 0.8728 -0.0196 -0.3250 0.123 Uiso 1 1 calc R
C17 C 0.817(2) -0.0922(16) -0.212(2) 0.113(4) Uani 1 1 d .
C18 C 0.9216(17) -0.1726(12) -0.3547(12) 0.069(5) Uani 1 1 d .
H18 H 0.9519 -0.1699 -0.4231 0.083 Uiso 1 1 calc R
C19 C 0.8850(19) -0.2698(12) -0.2321(12) 0.088(6) Uani 1 1 d .
H19 H 0.8885 -0.3329 -0.2062 0.105 Uiso 1 1 calc R
C20 C 0.8235(17) -0.1790(15) -0.1704(12) 0.083(5) Uani 1 1 d .
H20 H 0.7888 -0.1802 -0.1025 0.099 Uiso 1 1 calc R
C21 C 0.749(2) 0.0101(15) -0.1561(13) 0.113(4) Uani 1 1 d D
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'
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
O5 Cu1 O7 90.2(3) 2_665 2_665
O5 Cu1 O6 167.3(3) 2_665 .
O7 Cu1 O6 87.5(3) 2_665 .
O5 Cu1 O3 90.0(3) 2_665 .
O7 Cu1 O3 168.1(3) 2_665 .
O6 Cu1 O3 89.7(3) . .
O5 Cu1 N1 88.6(3) 2_665 .
O7 Cu1 N1 96.1(3) 2_665 .
O6 Cu1 N1 104.1(3) . .
O3 Cu1 N1 95.8(3) . .
O5 Cu1 Cu1 81.0(2) 2_665 2_665
O7 Cu1 Cu1 85.2(2) 2_665 2_665
O6 Cu1 Cu1 86.4(2) . 2_665
O3 Cu1 Cu1 83.1(2) . 2_665
N1 Cu1 Cu1 169.5(2) . 2_665
O8 Cu2 O2 168.7(3) 1_556 2_565
O8 Cu2 O4 86.5(3) 1_556 2_566
O2 Cu2 O4 92.0(3) 2_565 2_566
O8 Cu2 O1 89.8(3) 1_556 .
O2 Cu2 O1 89.2(3) 2_565 .
O4 Cu2 O1 167.3(3) 2_566 .
O8 Cu2 N3 95.1(4) 1_556 2_655
O2 Cu2 N3 96.2(4) 2_565 2_655
O4 Cu2 N3 102.5(3) 2_566 2_655
O1 Cu2 N3 89.9(3) . 2_655
O8 Cu2 Cu2 85.1(2) 1_556 2_566
O2 Cu2 Cu2 83.5(2) 2_565 2_566
O4 Cu2 Cu2 86.3(2) 2_566 2_566
O1 Cu2 Cu2 81.3(2) . 2_566
N3 Cu2 Cu2 171.2(2) 2_655 2_566
C1 O1 Cu2 126.2(7) . .
C10 O2 Cu2 123.3(7) . 2_565
C5 O3 Cu1 123.8(7) . .
C1 O4 Cu2 120.4(7) . 2_566
C6 O5 Cu1 127.7(7) . 2_665
C6 O6 Cu1 120.1(7) . .
C5 O7 Cu1 121.8(7) . 2_665
C10 O8 Cu2 121.8(7) . 1_554
C11 N1 C15 118.8(9) . .
C11 N1 Cu1 121.9(7) . .
C15 N1 Cu1 118.1(7) . .
C21 N2 C12 128.2(11) . .
C21 N2 H2 115.9 . .
C12 N2 H2 115.9 . .
C19 N3 C18 116.0(12) . .
C19 N3 Cu2 121.6(10) . 2_655
C18 N3 Cu2 121.3(9) . 2_655
O1 C1 O4 125.3(10) . .
O1 C1 C2 118.4(9) . .
O4 C1 C2 116.3(9) . .
C1 C2 C3 111.2(8) . .
C1 C2 H2A 109.4 . .
C3 C2 H2A 109.4 . .
C1 C2 H2B 109.4 . .
C3 C2 H2B 109.4 . .
H2A C2 H2B 108.0 . .
C2 C3 C4 110.3(7) . .
C2 C3 H3A 109.6 . .
C4 C3 H3A 109.6 . .
C2 C3 H3B 109.6 . .
C4 C3 H3B 109.6 . .
H3A C3 H3B 108.1 . .
C5 C4 C3 114.9(8) . .
C5 C4 H4A 108.5 . .
C3 C4 H4A 108.5 . .
C5 C4 H4B 108.5 . .
C3 C4 H4B 108.5 . .
H4A C4 H4B 107.5 . .
O3 C5 O7 126.1(10) . .
O3 C5 C4 117.6(10) . .
O7 C5 C4 116.2(9) . .
O5 C6 O6 124.1(10) . .
O5 C6 C7 118.6(10) . .
O6 C6 C7 117.3(10) . .
C6 C7 C8 112.5(10) . .
C6 C7 H7A 109.1 . .
C8 C7 H7A 109.1 . .
C6 C7 H7B 109.1 . .
C8 C7 H7B 109.1 . .
H7A C7 H7B 107.8 . .
C7 C8 C9 110.0(8) . .
C7 C8 H8A 109.7 . .
C9 C8 H8A 109.7 . .
C7 C8 H8B 109.7 . .
C9 C8 H8B 109.7 . .
H8A C8 H8B 108.2 . .
C10 C9 C8 113.4(9) . .
C10 C9 H9A 108.9 . .
C8 C9 H9A 108.9 . .
C10 C9 H9B 108.9 . .
C8 C9 H9B 108.9 . .
H9A C9 H9B 107.7 . .
O8 C10 O2 126.2(10) . .
O8 C10 C9 115.3(10) . .
O2 C10 C9 118.4(10) . .
N1 C11 C12 122.8(9) . .
N1 C11 H11 118.6 . .
C12 C11 H11 118.6 . .
C11 C12 C13 115.8(10) . .
C11 C12 N2 124.4(10) . .
C13 C12 N2 119.7(10) . .
C14 C13 C12 120.6(11) . .
C14 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
C13 C14 C15 118.9(11) . .
C13 C14 H14 120.6 . .
C15 C14 H14 120.6 . .
N1 C15 C14 123.0(10) . .
N1 C15 H15 118.5 . .
C14 C15 H15 118.5 . .
C17 C16 C18 116.2(19) . .
C17 C16 H16A 121.9 . .
C18 C16 H16A 121.9 . .
C16 C17 C20 122.9(17) . .
C16 C17 C21 113.1(19) . .
C20 C17 C21 124.0(19) . .
N3 C18 C16 127.8(16) . .
N3 C18 H18 116.1 . .
C16 C18 H18 116.1 . .
N3 C19 C20 118.6(15) . .
N3 C19 H19 120.7 . .
C20 C19 H19 120.7 . .
C17 C20 C19 118.3(15) . .
C17 C20 H20 120.9 . .
C19 C20 H20 120.9 . .
N2 C21 O9 123.0(13) . .
N2 C21 C17 114.4(15) . .
O9 C21 C17 122.4(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O5 1.950(8) 2_665
Cu1 O7 1.966(7) 2_665
Cu1 O6 1.969(7) .
Cu1 O3 1.978(7) .
Cu1 N1 2.168(8) .
Cu1 Cu1 2.647(3) 2_665
Cu2 O8 1.959(7) 1_556
Cu2 O2 1.964(7) 2_565
Cu2 O4 1.971(6) 2_566
Cu2 O1 1.983(7) .
Cu2 N3 2.155(10) 2_655
Cu2 Cu2 2.628(2) 2_566
O1 C1 1.224(12) .
O2 C10 1.259(13) .
O2 Cu2 1.964(7) 2_565
O3 C5 1.257(12) .
O4 C1 1.257(11) .
O4 Cu2 1.971(6) 2_566
O5 C6 1.248(13) .
O5 Cu1 1.950(8) 2_665
O6 C6 1.262(11) .
O7 C5 1.260(12) .
O7 Cu1 1.966(7) 2_665
O8 C10 1.254(12) .
O8 Cu2 1.959(7) 1_554
O9 C21 1.354(14) .
N1 C11 1.326(12) .
N1 C15 1.327(12) .
N2 C21 1.349(14) .
N2 C12 1.422(13) .
N2 H2 0.8800 .
N3 C19 1.315(16) .
N3 C18 1.332(15) .
N3 Cu2 2.154(10) 2_655
C1 C2 1.480(13) .
C2 C3 1.553(12) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.571(13) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.506(13) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C6 C7 1.490(14) .
C7 C8 1.531(13) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.542(13) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.533(14) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C11 C12 1.391(13) .
C11 H11 0.9500 .
C12 C13 1.409(14) .
C13 C14 1.349(15) .
C13 H13 0.9500 .
C14 C15 1.352(14) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.26(2) .
C16 C18 1.357(18) .
C16 H16A 0.9500 .
C17 C20 1.36(2) .
C17 C21 1.58(2) .
C18 H18 0.9500 .
C19 C20 1.455(19) .
C19 H19 0.9500 .
C20 H20 0.9500 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O1W 0.88 2.06 2.903(17) 161.5 2_655
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
O8 Cu2 O1 C1 -91.9(9) 1_556
O2 Cu2 O1 C1 76.8(9) 2_565
O4 Cu2 O1 C1 -18.9(18) 2_566
N3 Cu2 O1 C1 173.0(9) 2_655
Cu2 Cu2 O1 C1 -6.8(8) 2_566
O5 Cu1 O3 C5 78.7(7) 2_665
O7 Cu1 O3 C5 -12.3(19) 2_665
O6 Cu1 O3 C5 -88.6(7) .
N1 Cu1 O3 C5 167.3(7) .
Cu1 Cu1 O3 C5 -2.2(7) 2_665
O5 Cu1 O6 C6 -2.5(17) 2_665
O7 Cu1 O6 C6 -82.3(8) 2_665
O3 Cu1 O6 C6 86.1(8) .
N1 Cu1 O6 C6 -178.0(7) .
Cu1 Cu1 O6 C6 3.0(7) 2_665
O5 Cu1 N1 C11 -84.9(8) 2_665
O7 Cu1 N1 C11 5.2(8) 2_665
O6 Cu1 N1 C11 94.1(8) .
O3 Cu1 N1 C11 -174.7(8) .
Cu1 Cu1 N1 C11 -91.2(14) 2_665
O5 Cu1 N1 C15 82.3(7) 2_665
O7 Cu1 N1 C15 172.4(7) 2_665
O6 Cu1 N1 C15 -98.7(7) .
O3 Cu1 N1 C15 -7.5(8) .
Cu1 Cu1 N1 C15 76.0(15) 2_665
Cu2 O1 C1 O4 9.4(16) .
Cu2 O1 C1 C2 -169.7(6) .
Cu2 O4 C1 O1 -5.2(15) 2_566
Cu2 O4 C1 C2 173.9(6) 2_566
O1 C1 C2 C3 34.0(13) .
O4 C1 C2 C3 -145.1(9) .
C1 C2 C3 C4 61.7(11) .
C2 C3 C4 C5 -175.2(9) .
Cu1 O3 C5 O7 0.7(14) .
Cu1 O3 C5 C4 176.8(6) .
Cu1 O7 C5 O3 2.2(14) 2_665
Cu1 O7 C5 C4 -174.0(6) 2_665
C3 C4 C5 O3 41.9(13) .
C3 C4 C5 O7 -141.7(9) .
Cu1 O5 C6 O6 11.3(16) 2_665
Cu1 O5 C6 C7 -168.9(6) 2_665
Cu1 O6 C6 O5 -8.8(14) .
Cu1 O6 C6 C7 171.4(6) .
O5 C6 C7 C8 34.6(14) .
O6 C6 C7 C8 -145.6(10) .
C6 C7 C8 C9 61.8(13) .
C7 C8 C9 C10 -173.4(10) .
Cu2 O8 C10 O2 -0.1(14) 1_554
Cu2 O8 C10 C9 -176.0(6) 1_554
Cu2 O2 C10 O8 1.1(14) 2_565
Cu2 O2 C10 C9 176.9(6) 2_565
C8 C9 C10 O8 -145.3(10) .
C8 C9 C10 O2 38.4(14) .
C15 N1 C11 C12 1.3(15) .
Cu1 N1 C11 C12 168.4(8) .
N1 C11 C12 C13 -0.4(16) .
N1 C11 C12 N2 -177.0(10) .
C21 N2 C12 C11 5(2) .
C21 N2 C12 C13 -171.1(14) .
C11 C12 C13 C14 -0.6(18) .
N2 C12 C13 C14 176.2(11) .
C12 C13 C14 C15 1(2) .
C11 N1 C15 C14 -1.2(17) .
Cu1 N1 C15 C14 -168.8(10) .
C13 C14 C15 N1 0(2) .
C18 C16 C17 C20 5(3) .
C18 C16 C17 C21 -176.5(15) .
C19 N3 C18 C16 4(2) .
Cu2 N3 C18 C16 171.8(13) 2_655
C17 C16 C18 N3 -6(3) .
C18 N3 C19 C20 -2(2) .
Cu2 N3 C19 C20 -169.7(10) 2_655
C16 C17 C20 C19 -4(3) .
C21 C17 C20 C19 178.3(16) .
N3 C19 C20 C17 2(2) .
C12 N2 C21 O9 -5(3) .
C12 N2 C21 C17 -179.7(12) .
C16 C17 C21 N2 -161.6(18) .
C20 C17 C21 N2 16(3) .
C16 C17 C21 O9 23(3) .
C20 C17 C21 O9 -158.8(19) .
