#------------------------------------------------------------------------------
#$Date: 2021-05-22 10:19:31 +0300 (Sat, 22 May 2021) $
#$Revision: 265456 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/28/1562825.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_1562825
loop_
_publ_author_name
'Xia, Zheng-Qiang'
'Wei, Qing'
'Chen, San-Ping'
'Feng, Xin-Ming'
'Xie, Gang'
'Qiao, Cheng-Fang'
'Zhang, Guo-Chun'
'Gao, Sheng-Li'
_publ_section_title
;
 Copper(II)--lanthanide(III) coordination polymers constructed from
 pyridine-2,5-dicarboxylic acid: Preparation, crystal structure and
 photoluminescence
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              489
_journal_page_last               498
_journal_paper_doi               10.1016/j.jssc.2012.08.028
_journal_volume                  197
_journal_year                    2013
_chemical_formula_moiety         'C28 H24 Cu N4 Nd2 O22, 2(H2 O)'
_chemical_formula_sum            'C28 H28 Cu N4 Nd2 O24'
_chemical_formula_weight         1156.56
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.1830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.8379(6)
_cell_length_b                   25.635(2)
_cell_length_c                   9.3470(7)
_cell_measurement_reflns_used    7240
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.49
_cell_measurement_theta_min      2.34
_cell_volume                     1863.3(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            8608
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.59
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.411
_exptl_absorpt_correction_T_max  0.489
_exptl_absorpt_correction_T_min  0.475
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.061
_exptl_crystal_density_meas      2.061
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1130
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.404
_refine_diff_density_min         -1.184
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         3173
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0327
_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)+(0.0433P)²+10.1645P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0871
_reflns_number_gt                2969
_reflns_number_total             3173
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2013-197-489.cif
_cod_data_source_block           xb3002
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        1863.3(3)
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               1562825
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 0.5000 0.0000 0.0000 0.0304(3) Uani 1 2 d S . .
Nd1 Nd 0.01343(3) 0.150048(9) 0.08752(3) 0.01608(12) Uani 1 1 d . . .
C1 C 0.3801(6) 0.14317(19) 0.0045(6) 0.0193(11) Uani 1 1 d . . .
H1 H 0.3832 0.1183 0.0771 0.023 Uiso 1 1 calc R . .
C2 C 0.5085(7) 0.1583(2) -0.0533(6) 0.0213(11) Uani 1 1 d U . .
C3 C 0.5035(6) 0.1983(2) -0.1733(8) 0.0364(15) Uani 1 1 d . . .
H3 H 0.6074 0.2064 -0.2063 0.044 Uiso 1 1 calc R . .
C4 C 0.3726(7) 0.2212(2) -0.2319(8) 0.0359(15) Uani 1 1 d . . .
H4 H 0.3655 0.2453 -0.3067 0.043 Uiso 1 1 calc R . .
C5 C 0.2504(6) 0.20414(19) -0.1659(6) 0.0197(11) Uani 1 1 d . . .
C6 C 0.1025(6) 0.22719(19) -0.2241(6) 0.0204(11) Uani 1 1 d . . .
C7 C 0.6459(7) 0.1313(2) 0.0168(6) 0.0218(11) Uani 1 1 d U . .
C8 C 0.2811(6) -0.0072(2) 0.1964(7) 0.0257(12) Uani 1 1 d . . .
C9 C 0.4051(6) -0.0365(2) 0.2995(6) 0.0238(12) Uani 1 1 d . . .
C10 C 0.3959(7) -0.0636(2) 0.4469(7) 0.0316(13) Uani 1 1 d . . .
H10 H 0.2893 -0.0628 0.4809 0.038 Uiso 1 1 calc R . .
C11 C 0.5187(7) -0.0876(2) 0.5294(7) 0.0309(13) Uani 1 1 d . . .
H11 H 0.5133 -0.1034 0.6183 0.037 Uiso 1 1 calc R . .
C12 C 0.6479(6) -0.0840(2) 0.4589(6) 0.0242(12) Uani 1 1 d . . .
C13 C 0.6479(6) -0.0564(2) 0.3068(6) 0.0254(12) Uani 1 1 d . . .
H13 H 0.7526 -0.0576 0.2698 0.031 Uiso 1 1 calc R . .
C14 C 0.7856(6) -0.1095(2) 0.5419(6) 0.0240(12) Uani 1 1 d . . .
N1 N 0.5298(5) -0.03318(17) 0.2280(5) 0.0231(10) Uani 1 1 d . . .
N2 N 0.2526(5) 0.16583(16) -0.0484(4) 0.0163(8) Uani 1 1 d U . .
O1 O 0.7579(5) 0.22813(19) 0.5666(6) 0.0473(12) Uani 1 1 d . . .
H1A H 0.8180 0.2257 0.6664 0.06(2) Uiso 1 1 d R . .
H1B H 0.8008 0.2647 0.5805 0.11(4) Uiso 1 1 d R . .
O2 O -0.0987(5) 0.16439(19) 0.3540(5) 0.0400(11) Uani 1 1 d . . .
H2B H -0.0379 0.1509 0.4417 0.06(3) Uiso 1 1 d R . .
H2A H -0.1362 0.1874 0.4145 0.05(2) Uiso 1 1 d R . .
O3 O -0.0656(5) 0.06358(16) 0.1769(7) 0.0402(12) Uani 1 1 d . . .
H3A H -0.0212 0.0382 0.2155 0.08(3) Uiso 1 1 d R . .
H3B H -0.0624 0.0605 0.0991 0.07(4) Uiso 1 1 d R . .
O4 O 0.0222(5) 0.08964(15) -0.1532(5) 0.0317(10) Uani 1 1 d . . .
H4A H 0.0550 0.1004 -0.2396 0.05(2) Uiso 1 1 d R . .
H4B H -0.0357 0.0612 -0.1721 0.05(2) Uiso 1 1 d R . .
O5 O -0.0035(4) 0.20588(14) -0.1707(4) 0.0237(8) Uani 1 1 d U . .
O6 O 0.0972(4) 0.26497(15) -0.3250(5) 0.0348(10) Uani 1 1 d . . .
O7 O 0.1617(5) -0.00826(15) 0.2516(4) 0.0300(9) Uani 1 1 d U . .
O8 O 0.3107(4) 0.01622(16) 0.0638(5) 0.0336(10) Uani 1 1 d . . .
O9 O 0.7915(5) -0.12207(14) 0.6961(4) 0.0254(8) Uani 1 1 d U . .
O10 O 0.8831(5) -0.1162(2) 0.4491(5) 0.0428(12) Uani 1 1 d . . .
O11 O 0.6404(5) 0.08854(16) 0.0895(5) 0.0329(9) Uani 1 1 d U . .
O12 O 0.7621(5) 0.15617(16) -0.0050(5) 0.0330(10) Uani 1 1 d 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 '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
O8 Cu1 O8 180.0(4) 3_655 .
O8 Cu1 N1 104.03(17) 3_655 .
O8 Cu1 N1 75.97(17) . .
O8 Cu1 N1 75.97(17) 3_655 3_655
O8 Cu1 N1 104.03(17) . 3_655
N1 Cu1 N1 180.0(2) . 3_655
O8 Cu1 O11 88.50(17) 3_655 .
O8 Cu1 O11 91.50(17) . .
N1 Cu1 O11 92.00(14) . .
N1 Cu1 O11 88.00(14) 3_655 .
O12 Nd1 O6 106.39(15) 1_455 4_566
O12 Nd1 N2 121.96(16) 1_455 .
O6 Nd1 N2 80.21(14) 4_566 .
O12 Nd1 O3 86.75(15) 1_455 .
O6 Nd1 O3 140.40(19) 4_566 .
N2 Nd1 O3 124.65(15) . .
O12 Nd1 O9 145.54(15) 1_455 3_656
O6 Nd1 O9 82.51(14) 4_566 3_656
N2 Nd1 O9 92.13(13) . 3_656
O3 Nd1 O9 67.73(15) . 3_656
O12 Nd1 O4 79.56(15) 1_455 .
O6 Nd1 O4 139.67(14) 4_566 .
N2 Nd1 O4 64.14(12) . .
O3 Nd1 O4 78.70(17) . .
O9 Nd1 O4 115.43(12) 3_656 .
O12 Nd1 O2 88.46(15) 1_455 .
O6 Nd1 O2 71.06(15) 4_566 .
N2 Nd1 O2 143.33(13) . .
O3 Nd1 O2 72.18(18) . .
O9 Nd1 O2 62.48(12) 3_656 .
O4 Nd1 O2 149.07(13) . .
O12 Nd1 O5 70.01(14) 1_455 .
O6 Nd1 O5 79.05(14) 4_566 .
N2 Nd1 O5 54.46(12) . .
O3 Nd1 O5 139.77(17) . .
O9 Nd1 O5 143.99(11) 3_656 .
O4 Nd1 O5 65.39(12) . .
O2 Nd1 O5 136.31(12) . .
O12 Nd1 C7 18.05(16) 1_455 1_455
O6 Nd1 C7 116.73(13) 4_566 1_455
N2 Nd1 C7 135.68(14) . 1_455
O3 Nd1 C7 69.30(14) . 1_455
O9 Nd1 C7 128.86(14) 3_656 1_455
O4 Nd1 C7 81.14(13) . 1_455
O2 Nd1 C7 79.04(14) . 1_455
O5 Nd1 C7 87.14(13) . 1_455
O12 Nd1 H3B 82.0 1_455 .
O6 Nd1 H3B 157.6 4_566 .
N2 Nd1 H3B 113.5 . .
O3 Nd1 H3B 17.3 . .
O9 Nd1 H3B 79.4 3_656 .
O4 Nd1 H3B 61.6 . .
O2 Nd1 H3B 88.7 . .
O5 Nd1 H3B 123.3 . .
C7 Nd1 H3B 66.7 1_455 .
N2 C1 C2 109.9(5) . .
N2 C1 H1 125.0 . .
C2 C1 H1 125.0 . .
C1 C2 C7 105.1(5) . .
C1 C2 C3 125.2(5) . .
C7 C2 C3 129.7(5) . .
C4 C3 C2 126.0(5) . .
C4 C3 H3 117.0 . .
C2 C3 H3 117.0 . .
C3 C4 C5 104.6(6) . .
C3 C4 H4 127.7 . .
C5 C4 H4 127.7 . .
C4 C5 C6 108.2(5) . .
C4 C5 N2 130.4(5) . .
C6 C5 N2 121.4(4) . .
O5 C6 O6 132.8(5) . .
O5 C6 C5 104.2(5) . .
O6 C6 C5 123.0(4) . .
O12 C7 O11 130.0(5) . .
O12 C7 C2 103.0(5) . .
O11 C7 C2 127.0(5) . .
O12 C7 Nd1 33.6(3) . 1_655
O11 C7 Nd1 96.8(3) . 1_655
C2 C7 Nd1 135.8(4) . 1_655
O7 C8 O8 130.2(5) . .
O7 C8 C9 101.9(5) . .
O8 C8 C9 127.9(4) . .
N1 C9 C8 96.3(5) . .
N1 C9 C10 129.0(5) . .
C8 C9 C10 134.6(5) . .
C11 C10 C9 128.3(5) . .
C11 C10 H10 115.8 . .
C9 C10 H10 115.8 . .
C12 C11 C10 103.6(6) . .
C12 C11 H11 128.2 . .
C10 C11 H11 128.2 . .
C11 C12 C14 106.6(5) . .
C11 C12 C13 125.6(5) . .
C14 C12 C13 127.9(5) . .
N1 C13 C12 130.7(5) . .
N1 C13 H13 114.6 . .
C12 C13 H13 114.6 . .
O10 C14 C12 100.2(5) . .
O10 C14 O9 135.1(5) . .
C12 C14 O9 124.7(5) . .
C9 N1 C13 102.8(5) . .
C9 N1 Cu1 121.9(4) . .
C13 N1 Cu1 134.9(4) . .
C1 N2 C5 124.0(4) . .
C1 N2 Nd1 111.1(4) . .
C5 N2 Nd1 124.4(3) . .
H1A O1 H1B 79.9 . .
Nd1 O2 H2B 122.8 . .
Nd1 O2 H2A 145.6 . .
H2B O2 H2A 82.2 . .
Nd1 O3 H3A 140.0 . .
Nd1 O3 H3B 73.8 . .
H3A O3 H3B 106.9 . .
Nd1 O4 H4A 126.2 . .
Nd1 O4 H4B 125.3 . .
H4A O4 H4B 105.7 . .
C6 O5 Nd1 130.9(3) . .
C6 O6 Nd1 151.3(4) . 4_565
C8 O8 Cu1 116.2(3) . .
C14 O9 Nd1 143.3(3) . 3_656
C7 O11 Cu1 127.4(3) . .
C7 O12 Nd1 128.4(4) . 1_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O8 1.718(4) 3_655
Cu1 O8 1.718(4) .
Cu1 N1 2.279(5) .
Cu1 N1 2.279(5) 3_655
Cu1 O11 2.614(4) .
Nd1 O12 2.056(4) 1_455
Nd1 O6 2.390(4) 4_566
Nd1 N2 2.426(4) .
Nd1 O3 2.475(4) .
Nd1 O9 2.483(4) 3_656
Nd1 O4 2.739(4) .
Nd1 O2 2.767(5) .
Nd1 O5 2.795(4) .
Nd1 C7 2.913(5) 1_455
Nd1 H3B 2.3770 .
C1 N2 1.207(6) .
C1 C2 1.262(7) .
C1 H1 0.9300 .
C2 C7 1.376(7) .
C2 C3 1.516(8) .
C3 C4 1.248(8) .
C3 H3 0.9300 .
C4 C5 1.279(8) .
C4 H4 0.9300 .
C5 C6 1.353(7) .
C5 N2 1.472(7) .
C6 O5 1.158(6) .
C6 O6 1.348(7) .
C7 O12 1.151(7) .
C7 O11 1.293(7) .
C7 Nd1 2.913(5) 1_655
C8 O7 1.124(7) .
C8 O8 1.422(7) .
C8 C9 1.484(7) .
C9 N1 1.254(7) .
C9 C10 1.553(9) .
C10 C11 1.308(8) .
C10 H10 0.9300 .
C11 C12 1.279(8) .
C11 H11 0.9300 .
C12 C14 1.408(7) .
C12 C13 1.588(8) .
C13 N1 1.259(7) .
C13 H13 0.9300 .
C14 O10 1.238(7) .
C14 O9 1.473(7) .
O1 H1A 0.9926 .
O1 H1B 0.9994 .
O2 H2B 0.9594 .
O2 H2A 0.8921 .
O3 H3A 0.8018 .
O3 H3B 0.7352 .
O4 H4A 0.9192 .
O4 H4B 0.8663 .
O6 Nd1 2.390(4) 4_565
O9 Nd1 2.483(4) 3_656
O12 Nd1 2.056(4) 1_655
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
O4 H4B O7 0.87 1.78 2.636(5) 167.0 3
O4 H4A O10 0.92 2.12 3.029(6) 172.8 3_655
O3 H3B O4 0.74 2.64 3.312(8) 153.9 .
O3 H3A O7 0.80 1.86 2.597(6) 151.8 .
O2 H2A O1 0.89 2.02 2.906(7) 169.4 1_455
O2 H2B O10 0.96 1.73 2.644(6) 157.8 3_656
O1 H1B O6 1.00 2.38 2.884(6) 110.3 1_656
O1 H1B O12 1.00 2.19 3.042(7) 142.6 4_566
O1 H1A O5 0.99 2.00 2.951(6) 159.3 1_656
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
N2 C1 C2 C7 178.5(5) . . . .
N2 C1 C2 C3 -1.1(8) . . . .
C1 C2 C3 C4 -0.6(11) . . . .
C7 C2 C3 C4 179.9(7) . . . .
C2 C3 C4 C5 1.3(10) . . . .
C3 C4 C5 C6 -179.7(6) . . . .
C3 C4 C5 N2 -0.7(10) . . . .
C4 C5 C6 O5 172.5(5) . . . .
N2 C5 C6 O5 -6.6(7) . . . .
C4 C5 C6 O6 -5.5(8) . . . .
N2 C5 C6 O6 175.4(5) . . . .
C1 C2 C7 O12 -159.2(5) . . . .
C3 C2 C7 O12 20.4(8) . . . .
C1 C2 C7 O11 20.3(8) . . . .
C3 C2 C7 O11 -160.1(6) . . . .
C1 C2 C7 Nd1 -150.6(4) . . . 1_655
C3 C2 C7 Nd1 28.9(9) . . . 1_655
O7 C8 C9 N1 179.6(5) . . . .
O8 C8 C9 N1 -1.1(7) . . . .
O7 C8 C9 C10 0.0(8) . . . .
O8 C8 C9 C10 179.2(6) . . . .
N1 C9 C10 C11 2.1(10) . . . .
C8 C9 C10 C11 -178.3(6) . . . .
C9 C10 C11 C12 -0.9(9) . . . .
C10 C11 C12 C14 -179.6(5) . . . .
C10 C11 C12 C13 -0.2(8) . . . .
C11 C12 C13 N1 0.7(10) . . . .
C14 C12 C13 N1 180.0(6) . . . .
C11 C12 C14 O10 162.4(5) . . . .
C13 C12 C14 O10 -17.0(7) . . . .
C11 C12 C14 O9 -17.4(7) . . . .
C13 C12 C14 O9 163.2(5) . . . .
C8 C9 N1 C13 179.0(4) . . . .
C10 C9 N1 C13 -1.3(8) . . . .
C8 C9 N1 Cu1 -7.7(5) . . . .
C10 C9 N1 Cu1 172.0(4) . . . .
C12 C13 N1 C9 0.2(8) . . . .
C12 C13 N1 Cu1 -171.8(4) . . . .
O8 Cu1 N1 C9 -167.7(4) 3_655 . . .
O8 Cu1 N1 C9 12.3(4) . . . .
N1 Cu1 N1 C9 81(100) 3_655 . . .
O11 Cu1 N1 C9 103.3(4) . . . .
O8 Cu1 N1 C13 3.0(6) 3_655 . . .
O8 Cu1 N1 C13 -177.0(6) . . . .
N1 Cu1 N1 C13 -109(100) 3_655 . . .
O11 Cu1 N1 C13 -85.9(5) . . . .
C2 C1 N2 C5 1.7(8) . . . .
C2 C1 N2 Nd1 -169.7(4) . . . .
C4 C5 N2 C1 -1.0(9) . . . .
C6 C5 N2 C1 177.9(5) . . . .
C4 C5 N2 Nd1 169.2(6) . . . .
C6 C5 N2 Nd1 -11.9(7) . . . .
O12 Nd1 N2 C1 -155.3(4) 1_455 . . .
O6 Nd1 N2 C1 101.4(4) 4_566 . . .
O3 Nd1 N2 C1 -44.8(4) . . . .
O9 Nd1 N2 C1 19.4(4) 3_656 . . .
O4 Nd1 N2 C1 -98.0(4) . . . .
O2 Nd1 N2 C1 63.0(5) . . . .
O5 Nd1 N2 C1 -175.1(4) . . . .
C7 Nd1 N2 C1 -140.1(4) 1_455 . . .
O12 Nd1 N2 C5 33.4(4) 1_455 . . .
O6 Nd1 N2 C5 -69.9(4) 4_566 . . .
O3 Nd1 N2 C5 143.9(4) . . . .
O9 Nd1 N2 C5 -151.9(4) 3_656 . . .
O4 Nd1 N2 C5 90.7(4) . . . .
O2 Nd1 N2 C5 -108.3(4) . . . .
O5 Nd1 N2 C5 13.6(3) . . . .
C7 Nd1 N2 C5 48.6(4) 1_455 . . .
O6 C6 O5 Nd1 -159.8(5) . . . .
C5 C6 O5 Nd1 22.5(7) . . . .
O12 Nd1 O5 C6 174.9(5) 1_455 . . .
O6 Nd1 O5 C6 62.8(5) 4_566 . . .
N2 Nd1 O5 C6 -22.9(4) . . . .
O3 Nd1 O5 C6 -126.6(5) . . . .
O9 Nd1 O5 C6 2.3(6) 3_656 . . .
O4 Nd1 O5 C6 -97.7(5) . . . .
O2 Nd1 O5 C6 109.9(5) . . . .
C7 Nd1 O5 C6 -179.2(5) 1_455 . . .
O5 C6 O6 Nd1 55.6(11) . . . 4_565
C5 C6 O6 Nd1 -127.1(6) . . . 4_565
O7 C8 O8 Cu1 -169.3(5) . . . .
C9 C8 O8 Cu1 11.7(7) . . . .
O8 Cu1 O8 C8 -149(85) 3_655 . . .
N1 Cu1 O8 C8 -10.2(4) . . . .
N1 Cu1 O8 C8 169.8(4) 3_655 . . .
O11 Cu1 O8 C8 -101.9(4) . . . .
O10 C14 O9 Nd1 14.1(10) . . . 3_656
C12 C14 O9 Nd1 -166.2(4) . . . 3_656
O12 C7 O11 Cu1 -124.5(6) . . . .
C2 C7 O11 Cu1 56.1(7) . . . .
Nd1 C7 O11 Cu1 -130.2(3) 1_655 . . .
O8 Cu1 O11 C7 86.5(4) 3_655 . . .
O8 Cu1 O11 C7 -93.5(4) . . . .
N1 Cu1 O11 C7 -169.5(4) . . . .
N1 Cu1 O11 C7 10.5(4) 3_655 . . .
O11 C7 O12 Nd1 -10.2(10) . . . 1_655
C2 C7 O12 Nd1 169.3(4) . . . 1_655
