#------------------------------------------------------------------------------
#$Date: 2017-04-05 11:59:51 +0200 (Wed 05 de Apr de 2017) $
#$Revision: 195138 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/75/7227529.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_7227529
loop_
_publ_author_name
'Hu, Yue-Qiao'
'Zhang, Tao'
'Li, Mu-Qing'
'Wang, Yanyan'
'Zheng, Zhiping'
'Zheng, Yan-Zhen'
_publ_section_title
;
 Copper(i)/(ii)-redox triggered efficient and green rare-earth separation
 using a heterometallic metal--organic framework
;
_journal_issue                   5
_journal_name_full               'Green Chem.'
_journal_page_first              1250
_journal_paper_doi               10.1039/C6GC02833K
_journal_volume                  19
_journal_year                    2017
_chemical_formula_sum            'C48 H40 Cl0 Cu8 I8 N8 Na2 Nd2 O25'
_chemical_formula_weight         2986.86
_chemical_name_common            2-Nd
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.889(2)
_cell_length_b                   31.835(4)
_cell_length_c                   24.831(3)
_cell_measurement_reflns_used    7822
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.56
_cell_measurement_theta_min      2.28
_cell_volume                     14141(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0575
_diffrn_reflns_av_sigmaI/netI    0.0928
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            36780
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    3.690
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.568
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             5528
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.588
_refine_diff_density_min         -1.036
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         13898
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1594
_refine_ls_R_factor_gt           0.0853
_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)+(0.1245P)²+189.9995P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2168
_refine_ls_wR_factor_ref         0.2635
_reflns_number_gt                7752
_reflns_number_total             13898
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6gc02833k3.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7227519--7227529.cif.'
_cod_original_sg_symbol_H-M      C222(1)
_cod_database_code               7227529
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -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
Nd1 Nd 0.68555(6) -0.10695(3) -0.45493(6) 0.0739(4) Uani 1 1 d .
I1 I 0.20926(7) -0.01846(4) -0.33508(8) 0.0776(5) Uani 1 1 d .
I2 I 0.30618(8) 0.11143(5) -0.32733(8) 0.0825(5) Uani 1 1 d .
I3 I 0.18472(8) 0.07032(4) -0.47942(7) 0.0722(4) Uani 1 1 d .
I4 I 0.05507(7) 0.09470(4) -0.32693(7) 0.0700(5) Uani 1 1 d .
Cu1 Cu 0.26790(13) 0.05164(9) -0.39377(15) 0.0774(9) Uani 1 1 d .
Cu2 Cu 0.18508(17) 0.05902(9) -0.30492(13) 0.0785(9) Uani 1 1 d .
Cu3 Cu 0.12662(13) 0.03364(8) -0.39386(15) 0.0780(9) Uani 1 1 d .
Cu4 Cu 0.17187(15) 0.11162(7) -0.38624(14) 0.0767(9) Uani 1 1 d .
Na1 Na 0.6928(5) 0.0000 -0.5000 0.058(3) Uani 1 2 d S
O1 O 0.7664(8) -0.1142(5) -0.5366(8) 0.092(5) Uani 1 1 d .
O2 O 0.6792(7) -0.0652(4) -0.5427(6) 0.070(4) Uani 1 1 d .
O3 O 0.7726(7) -0.0450(4) -0.4535(7) 0.074(4) Uani 1 1 d .
O4 O 0.8221(8) -0.1021(5) -0.4238(8) 0.097(6) Uani 1 1 d .
O5 O 0.6177(6) -0.0370(4) -0.4422(7) 0.066(4) Uani 1 1 d .
O6 O 0.5472(8) -0.0930(4) -0.4487(8) 0.087(5) Uani 1 1 d .
O7 O 0.7379(9) -0.1786(5) -0.4510(9) 0.106(3) Uani 1 1 d .
O8 O 0.6307(9) -0.1699(5) -0.4063(9) 0.106(3) Uani 1 1 d .
O9 O 0.6894(14) -0.0943(8) -0.3597(9) 0.149(8) Uani 1 1 d U
H9A H 0.7303 -0.0822 -0.3516 0.179 Uiso 1 1 d R
H9B H 0.6529 -0.0786 -0.3510 0.179 Uiso 1 1 d R
O10 O 0.6183(12) -0.1515(7) -0.5243(12) 0.147(10) Uani 1 1 d .
H10A H 0.6435 -0.1521 -0.5533 0.177 Uiso 1 1 d R
H10D H 0.5755 -0.1410 -0.5305 0.177 Uiso 1 1 d R
N1 N 0.8046(7) -0.0599(4) -0.7252(5) 0.085(6) Uani 1 1 d G
C1 C 0.8354(7) -0.0932(4) -0.6967(6) 0.090(8) Uani 1 1 d G
H1B H 0.8716 -0.1108 -0.7133 0.108 Uiso 1 1 calc R
C2 C 0.8134(8) -0.1009(4) -0.6439(6) 0.072(6) Uani 1 1 d G
H2A H 0.8345 -0.1236 -0.6245 0.086 Uiso 1 1 calc R
C3 C 0.7604(7) -0.0751(5) -0.6196(5) 0.067(6) Uani 1 1 d G
C4 C 0.7295(7) -0.0418(4) -0.6481(6) 0.072(6) Uani 1 1 d GU
H4A H 0.6934 -0.0242 -0.6315 0.086 Uiso 1 1 calc R
C5 C 0.7516(7) -0.0341(4) -0.7009(6) 0.075(6) Uani 1 1 d GU
H5A H 0.7305 -0.0114 -0.7203 0.090 Uiso 1 1 calc R
N2 N 1.0357(5) 0.0013(3) -0.4158(6) 0.069(6) Uani 1 1 d G
C7 C 0.9717(6) 0.0233(3) -0.4305(7) 0.083(8) Uani 1 1 d G
H7A H 0.9741 0.0528 -0.4359 0.100 Uiso 1 1 calc R
C8 C 0.9044(5) 0.0022(3) -0.4372(7) 0.082(8) Uani 1 1 d G
H8A H 0.8607 0.0172 -0.4473 0.098 Uiso 1 1 calc R
C9 C 0.9010(5) -0.0410(3) -0.4293(7) 0.065(6) Uani 1 1 d G
C10 C 0.9649(6) -0.0630(3) -0.4147(7) 0.083(8) Uani 1 1 d G
H10B H 0.9626 -0.0926 -0.4092 0.099 Uiso 1 1 calc R
C11 C 1.0323(5) -0.0419(3) -0.4079(6) 0.073(7) Uani 1 1 d G
H11A H 1.0760 -0.0569 -0.3979 0.087 Uiso 1 1 calc R
N3 N 0.3601(4) 0.0212(4) -0.4168(5) 0.066(5) Uani 1 1 d G
C13 C 0.4305(5) 0.0387(3) -0.4093(5) 0.048(5) Uani 1 1 d G
H13A H 0.4351 0.0671 -0.3980 0.058 Uiso 1 1 calc R
C14 C 0.4942(4) 0.0147(3) -0.4183(5) 0.057(6) Uani 1 1 d G
H14A H 0.5423 0.0267 -0.4131 0.068 Uiso 1 1 calc R
C15 C 0.4875(5) -0.0268(3) -0.4349(6) 0.046(5) Uani 1 1 d G
C16 C 0.4171(6) -0.0444(3) -0.4424(6) 0.071(7) Uani 1 1 d G
H16A H 0.4125 -0.0728 -0.4537 0.086 Uiso 1 1 calc R
C17 C 0.3534(4) -0.0204(4) -0.4334(6) 0.078(8) Uani 1 1 d G
H17A H 0.3053 -0.0323 -0.4385 0.094 Uiso 1 1 calc R
N4 N 0.6670(7) -0.3270(3) -0.4052(7) 0.072(5) Uani 1 1 d G
C19 C 0.7236(8) -0.3102(4) -0.4369(7) 0.106(3) Uani 1 1 d G
H19A H 0.7588 -0.3282 -0.4537 0.127 Uiso 1 1 calc R
C20 C 0.7287(8) -0.2670(4) -0.4439(8) 0.106(3) Uani 1 1 d G
H20A H 0.7674 -0.2555 -0.4655 0.127 Uiso 1 1 calc R
C21 C 0.6772(9) -0.2405(3) -0.4192(9) 0.106(3) Uani 1 1 d G
C22 C 0.6205(9) -0.2574(4) -0.3875(8) 0.106(3) Uani 1 1 d G
H22A H 0.5853 -0.2393 -0.3707 0.127 Uiso 1 1 calc R
C23 C 0.6154(7) -0.3006(4) -0.3805(7) 0.106(3) Uani 1 1 d G
H23A H 0.5767 -0.3121 -0.3588 0.127 Uiso 1 1 calc R
C6 C 0.7354(11) -0.0858(6) -0.5666(14) 0.090(9) Uani 1 1 d .
C12 C 0.8266(10) -0.0661(7) -0.4350(9) 0.065(6) Uani 1 1 d .
C18 C 0.5552(10) -0.0560(7) -0.4412(9) 0.060(6) Uani 1 1 d .
C24 C 0.6844(16) -0.1924(7) -0.4240(14) 0.106(3) Uani 1 1 d U
Na2 Na 0.4913(16) -0.1504(7) -0.3855(12) 0.124(8) Uani 0.50 1 d PU
O1W O 0.557(4) 0.134(2) 0.622(3) 0.21(3) Uani 0.50 1 d PU
O2W O 0.5000 0.014(3) 0.7500 0.33(4) Uani 1 2 d SU
O3W O 0.0000 0.024(3) 0.2500 0.42(6) Uani 1 2 d SU
O4W O 0.409(4) 0.152(2) 0.524(3) 0.21(3) Uani 0.50 1 d PU
O1W' O 0.558(3) 0.1328(16) 0.668(2) 0.133(15) Uani 0.50 1 d PU
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'
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'
I I -0.4742 1.8119 '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'
Na Na 0.0362 0.0249 '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'
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
O9 Nd1 O7 96.0(8) . .
O9 Nd1 O1 142.9(7) . .
O7 Nd1 O1 74.1(6) . .
O9 Nd1 O3 80.6(7) . .
O7 Nd1 O3 119.3(5) . .
O1 Nd1 O3 74.1(6) . .
O9 Nd1 O6 86.5(8) . .
O7 Nd1 O6 122.2(5) . .
O1 Nd1 O6 129.4(6) . .
O3 Nd1 O6 118.0(4) . .
O9 Nd1 O10 141.0(9) . .
O7 Nd1 O10 71.9(7) . .
O1 Nd1 O10 70.8(8) . .
O3 Nd1 O10 138.0(7) . .
O6 Nd1 O10 71.0(7) . .
O9 Nd1 O8 71.0(8) . .
O7 Nd1 O8 53.0(5) . .
O1 Nd1 O8 122.4(6) . .
O3 Nd1 O8 148.5(7) . .
O6 Nd1 O8 74.3(5) . .
O10 Nd1 O8 72.4(8) . .
O9 Nd1 O2 139.0(7) . .
O7 Nd1 O2 122.1(6) . .
O1 Nd1 O2 51.9(5) . .
O3 Nd1 O2 68.3(5) . .
O6 Nd1 O2 85.3(5) . .
O10 Nd1 O2 72.0(7) . .
O8 Nd1 O2 143.1(6) . .
O9 Nd1 O5 75.3(7) . .
O7 Nd1 O5 168.7(6) . .
O1 Nd1 O5 117.1(5) . .
O3 Nd1 O5 67.0(4) . .
O6 Nd1 O5 51.1(4) . .
O10 Nd1 O5 110.2(6) . .
O8 Nd1 O5 116.4(5) . .
O2 Nd1 O5 68.4(5) . .
O9 Nd1 O4 70.5(8) . .
O7 Nd1 O4 71.5(6) . .
O1 Nd1 O4 72.5(6) . .
O3 Nd1 O4 50.1(4) . .
O6 Nd1 O4 155.0(6) . .
O10 Nd1 O4 133.6(7) . .
O8 Nd1 O4 105.8(6) . .
O2 Nd1 O4 105.5(5) . .
O5 Nd1 O4 111.3(5) . .
O9 Nd1 C24 83.9(9) . .
O7 Nd1 C24 26.1(6) . .
O1 Nd1 C24 97.7(7) . .
O3 Nd1 C24 139.1(7) . .
O6 Nd1 C24 98.4(6) . .
O10 Nd1 C24 69.1(9) . .
O8 Nd1 C24 26.9(6) . .
O2 Nd1 C24 137.1(8) . .
O5 Nd1 C24 143.3(6) . .
O4 Nd1 C24 89.0(7) . .
O9 Nd1 C18 79.1(8) . .
O7 Nd1 C18 145.9(6) . .
O1 Nd1 C18 128.4(6) . .
O3 Nd1 C18 93.3(5) . .
O6 Nd1 C18 24.8(5) . .
O10 Nd1 C18 90.6(7) . .
O8 Nd1 C18 94.3(6) . .
O2 Nd1 C18 76.7(5) . .
O5 Nd1 C18 26.4(5) . .
O4 Nd1 C18 134.9(6) . .
C24 Nd1 C18 120.5(7) . .
Cu2 I1 Cu3 58.43(10) . .
Cu2 I1 Cu1 58.07(9) . .
Cu3 I1 Cu1 55.82(8) . .
Cu1 I2 Cu2 59.09(10) . .
Cu1 I2 Cu4 56.55(8) . .
Cu2 I2 Cu4 56.08(9) . .
Cu3 I3 Cu1 58.54(9) . .
Cu3 I3 Cu4 59.09(9) . .
Cu1 I3 Cu4 57.74(9) . .
Cu4 I4 Cu2 60.12(10) . .
Cu4 I4 Cu3 56.95(8) . .
Cu2 I4 Cu3 55.58(9) . .
N3 Cu1 Cu4 158.7(4) . .
N3 Cu1 Cu3 134.3(3) . .
Cu4 Cu1 Cu3 60.89(10) . .
N3 Cu1 I2 108.6(3) . .
Cu4 Cu1 I2 65.70(11) . .
Cu3 Cu1 I2 114.68(13) . .
N3 Cu1 I3 109.9(4) . .
Cu4 Cu1 I3 61.29(11) . .
Cu3 Cu1 I3 60.25(11) . .
I2 Cu1 I3 119.24(12) . .
N3 Cu1 Cu2 137.6(5) . .
Cu4 Cu1 Cu2 60.28(11) . .
Cu3 Cu1 Cu2 58.57(12) . .
I2 Cu1 Cu2 63.82(11) . .
I3 Cu1 Cu2 109.30(11) . .
N3 Cu1 I1 94.0(4) . .
Cu4 Cu1 I1 107.25(11) . .
Cu3 Cu1 I1 58.06(9) . .
I2 Cu1 I1 110.04(14) . .
I3 Cu1 I1 112.07(10) . .
Cu2 Cu1 I1 56.25(10) . .
N1 Cu2 Cu3 153.7(4) 2_655 .
N1 Cu2 I1 106.4(4) 2_655 .
Cu3 Cu2 I1 61.65(10) . .
N1 Cu2 Cu4 139.7(4) 2_655 .
Cu3 Cu2 Cu4 60.35(11) . .
I1 Cu2 Cu4 113.28(14) . .
N1 Cu2 I4 106.4(4) 2_655 .
Cu3 Cu2 I4 66.43(10) . .
I1 Cu2 I4 119.44(14) . .
Cu4 Cu2 I4 59.32(9) . .
N1 Cu2 Cu1 140.6(4) 2_655 .
Cu3 Cu2 Cu1 59.23(11) . .
I1 Cu2 Cu1 65.67(10) . .
Cu4 Cu2 Cu1 58.12(11) . .
I4 Cu2 Cu1 110.80(13) . .
N1 Cu2 I2 96.8(4) 2_655 .
Cu3 Cu2 I2 109.39(13) . .
I1 Cu2 I2 112.25(11) . .
Cu4 Cu2 I2 62.39(10) . .
I4 Cu2 I2 112.61(11) . .
Cu1 Cu2 I2 57.08(9) . .
N2 Cu3 Cu2 136.5(5) 1_455 .
N2 Cu3 Cu1 155.1(4) 1_455 .
Cu2 Cu3 Cu1 62.19(12) . .
N2 Cu3 Cu4 139.4(3) 1_455 .
Cu2 Cu3 Cu4 60.97(12) . .
Cu1 Cu3 Cu4 59.25(10) . .
N2 Cu3 I3 109.2(5) 1_455 .
Cu2 Cu3 I3 113.08(12) . .
Cu1 Cu3 I3 61.22(11) . .
Cu4 Cu3 I3 61.09(10) . .
N2 Cu3 I1 106.3(4) 1_455 .
Cu2 Cu3 I1 59.92(10) . .
Cu1 Cu3 I1 66.11(10) . .
Cu4 Cu3 I1 112.33(13) . .
I3 Cu3 I1 119.95(11) . .
N2 Cu3 I4 98.3(4) 1_455 .
Cu2 Cu3 I4 57.99(10) . .
Cu1 Cu3 I4 106.60(12) . .
Cu4 Cu3 I4 56.76(9) . .
I3 Cu3 I4 110.09(10) . .
I1 Cu3 I4 110.73(14) . .
N4 Cu4 Cu1 137.1(4) 5_455 .
N4 Cu4 I4 107.3(4) 5_455 .
Cu1 Cu4 I4 114.93(12) . .
N4 Cu4 Cu3 153.0(5) 5_455 .
Cu1 Cu4 Cu3 59.86(10) . .
I4 Cu4 Cu3 66.29(10) . .
N4 Cu4 Cu2 143.2(5) 5_455 .
Cu1 Cu4 Cu2 61.60(12) . .
I4 Cu4 Cu2 60.56(9) . .
Cu3 Cu4 Cu2 58.68(12) . .
N4 Cu4 I3 106.2(5) 5_455 .
Cu1 Cu4 I3 60.97(10) . .
I4 Cu4 I3 117.11(12) . .
Cu3 Cu4 I3 59.82(11) . .
Cu2 Cu4 I3 110.08(11) . .
N4 Cu4 I2 99.3(5) 5_455 .
Cu1 Cu4 I2 57.75(9) . .
I4 Cu4 I2 112.93(13) . .
Cu3 Cu4 I2 107.44(11) . .
Cu2 Cu4 I2 61.53(10) . .
I3 Cu4 I2 112.08(9) . .
O5 Na1 O5 108.2(8) . 3_554
O5 Na1 O3 74.5(5) . .
O5 Na1 O3 170.4(6) 3_554 .
O5 Na1 O3 170.4(6) . 3_554
O5 Na1 O3 74.5(5) 3_554 3_554
O3 Na1 O3 104.4(8) . 3_554
O5 Na1 O2 76.5(5) . .
O5 Na1 O2 96.4(5) 3_554 .
O3 Na1 O2 75.1(5) . .
O3 Na1 O2 112.6(6) 3_554 .
O5 Na1 O2 96.4(5) . 3_554
O5 Na1 O2 76.5(5) 3_554 3_554
O3 Na1 O2 112.6(6) . 3_554
O3 Na1 O2 75.1(5) 3_554 3_554
O2 Na1 O2 168.1(7) . 3_554
O5 Na1 Nd1 45.2(3) . .
O5 Na1 Nd1 131.5(4) 3_554 .
O3 Na1 Nd1 44.2(3) . .
O3 Na1 Nd1 139.6(4) 3_554 .
O2 Na1 Nd1 45.3(4) . .
O2 Na1 Nd1 134.1(4) 3_554 .
O5 Na1 Nd1 131.5(4) . 3_554
O5 Na1 Nd1 45.2(3) 3_554 3_554
O3 Na1 Nd1 139.6(4) . 3_554
O3 Na1 Nd1 44.2(3) 3_554 3_554
O2 Na1 Nd1 134.1(4) . 3_554
O2 Na1 Nd1 45.3(4) 3_554 3_554
Nd1 Na1 Nd1 175.8(3) . 3_554
C6 O1 Nd1 98.8(15) . .
C6 O2 Na1 123.8(13) . .
C6 O2 Nd1 95.2(14) . .
Na1 O2 Nd1 94.1(5) . .
C12 O3 Na1 167.5(13) . .
C12 O3 Nd1 93.6(12) . .
Na1 O3 Nd1 95.5(5) . .
C12 O4 Nd1 93.0(12) . .
C18 O5 Na1 140.5(15) . .
C18 O5 Nd1 90.3(11) . .
Na1 O5 Nd1 95.3(5) . .
C18 O6 Nd1 93.7(11) . .
C18 O6 Na2 129.8(17) . .
Nd1 O6 Na2 106.9(8) . .
C24 O7 Nd1 93.2(14) . .
C24 O8 Nd1 89.3(13) . .
C24 O8 Na2 156(2) . .
Nd1 O8 Na2 106.0(7) . .
Nd1 O9 H9A 109.5 . .
Nd1 O9 H9B 109.1 . .
H9A O9 H9B 109.5 . .
Nd1 O10 H10A 109.8 . .
Nd1 O10 H10D 109.3 . .
H10A O10 H10D 109.5 . .
C1 N1 C5 120.0 . .
C1 N1 Cu2 118.7(7) . 2_654
C5 N1 Cu2 119.2(7) . 2_654
C2 C1 N1 120.0 . .
C2 C1 H1B 120.0 . .
N1 C1 H1B 120.0 . .
C1 C2 C3 120.0 . .
C1 C2 H2A 120.0 . .
C3 C2 H2A 120.0 . .
C4 C3 C2 120.0 . .
C4 C3 C6 121.6(11) . .
C2 C3 C6 118.2(12) . .
C3 C4 C5 120.0 . .
C3 C4 H4A 120.0 . .
C5 C4 H4A 120.0 . .
C4 C5 N1 120.0 . .
C4 C5 H5A 120.0 . .
N1 C5 H5A 120.0 . .
C7 N2 C11 120.0 . .
C7 N2 Cu3 118.7(6) . 1_655
C11 N2 Cu3 120.4(6) . 1_655
C8 C7 N2 120.0 . .
C8 C7 H7A 120.0 . .
N2 C7 H7A 120.0 . .
C7 C8 C9 120.0 . .
C7 C8 H8A 120.0 . .
C9 C8 H8A 120.0 . .
C8 C9 C10 120.0 . .
C8 C9 C12 122.1(10) . .
C10 C9 C12 117.9(10) . .
C11 C10 C9 120.0 . .
C11 C10 H10B 120.0 . .
C9 C10 H10B 120.0 . .
C10 C11 N2 120.0 . .
C10 C11 H11A 120.0 . .
N2 C11 H11A 120.0 . .
C13 N3 C17 120.0 . .
C13 N3 Cu1 121.0(6) . .
C17 N3 Cu1 118.4(6) . .
C14 C13 N3 120.0 . .
C14 C13 H13A 120.0 . .
N3 C13 H13A 120.0 . .
C13 C14 C15 120.0 . .
C13 C14 H14A 120.0 . .
C15 C14 H14A 120.0 . .
C16 C15 C14 120.0 . .
C16 C15 C18 117.3(11) . .
C14 C15 C18 122.5(11) . .
C15 C16 C17 120.0 . .
C15 C16 H16A 120.0 . .
C17 C16 H16A 120.0 . .
C16 C17 N3 120.0 . .
C16 C17 H17A 120.0 . .
N3 C17 H17A 120.0 . .
C19 N4 C23 120.0 . .
C19 N4 Cu4 118.3(6) . 5_545
C23 N4 Cu4 120.9(7) . 5_545
N4 C19 C20 120.0 . .
N4 C19 H19A 120.0 . .
C20 C19 H19A 120.0 . .
C19 C20 C21 120.0 . .
C19 C20 H20A 120.0 . .
C21 C20 H20A 120.0 . .
C20 C21 C22 120.0 . .
C20 C21 C24 120.7(13) . .
C22 C21 C24 119.2(13) . .
C23 C22 C21 120.0 . .
C23 C22 H22A 120.0 . .
C21 C22 H22A 120.0 . .
C22 C23 N4 120.0 . .
C22 C23 H23A 120.0 . .
N4 C23 H23A 120.0 . .
O1 C6 O2 114(3) . .
O1 C6 C3 124.0(19) . .
O2 C6 C3 121.8(19) . .
O1 C6 Nd1 55.8(14) . .
O2 C6 Nd1 58.3(14) . .
C3 C6 Nd1 178.8(17) . .
O4 C12 O3 123.2(19) . .
O4 C12 C9 122.3(16) . .
O3 C12 C9 114.5(16) . .
O4 C12 Nd1 62.8(12) . .
O3 C12 Nd1 60.5(10) . .
C9 C12 Nd1 174.0(13) . .
O6 C18 O5 124.7(16) . .
O6 C18 C15 121.0(17) . .
O5 C18 C15 114.1(17) . .
O6 C18 Nd1 61.5(10) . .
O5 C18 Nd1 63.3(9) . .
C15 C18 Nd1 177.2(13) . .
O7 C24 O8 124(2) . .
O7 C24 C21 117(2) . .
O8 C24 C21 118(2) . .
O7 C24 Nd1 60.7(11) . .
O8 C24 Nd1 63.8(11) . .
C21 C24 Nd1 168(2) . .
O6 Na2 O8 71.5(8) . .
O6 Na2 Nd1 35.8(5) . .
O8 Na2 Nd1 36.3(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O9 2.40(2) .
Nd1 O7 2.469(15) .
Nd1 O1 2.501(17) .
Nd1 O3 2.513(13) .
Nd1 O6 2.518(14) .
Nd1 O10 2.53(2) .
Nd1 O8 2.538(16) .
Nd1 O2 2.555(15) .
Nd1 O5 2.555(12) .
Nd1 O4 2.567(15) .
Nd1 C24 2.83(2) .
Nd1 C18 2.860(17) .
I1 Cu2 2.614(3) .
I1 Cu3 2.658(3) .
I1 Cu1 2.864(4) .
I2 Cu1 2.610(3) .
I2 Cu2 2.790(3) .
I2 Cu4 2.813(4) .
I3 Cu3 2.638(4) .
I3 Cu1 2.663(4) .
I3 Cu4 2.671(4) .
I4 Cu4 2.612(3) .
I4 Cu2 2.646(3) .
I4 Cu3 2.860(4) .
Cu1 N3 1.997(8) .
Cu1 Cu4 2.575(3) .
Cu1 Cu3 2.591(3) .
Cu1 Cu2 2.668(4) .
Cu2 N1 1.989(13) 2_655
Cu2 Cu3 2.574(5) .
Cu2 Cu4 2.634(4) .
Cu3 N2 2.002(8) 1_455
Cu3 Cu4 2.618(4) .
Cu4 N4 2.012(10) 5_455
Na1 O5 2.293(15) .
Na1 O5 2.293(15) 3_554
Na1 O3 2.328(15) .
Na1 O3 2.328(15) 3_554
Na1 O2 2.342(14) .
Na1 O2 2.342(14) 3_554
Na1 Nd1 3.5862(11) 3_554
O1 C6 1.30(3) .
O2 C6 1.34(3) .
O3 C12 1.26(2) .
O4 C12 1.18(2) .
O5 C18 1.27(2) .
O6 C18 1.20(2) .
O6 Na2 2.61(3) .
O7 C24 1.25(3) .
O8 C24 1.28(3) .
O8 Na2 2.62(3) .
O9 H9A 0.8501 .
O9 H9B 0.8502 .
O10 H10A 0.8502 .
O10 H10D 0.8500 .
N1 C1 1.3900 .
N1 C5 1.3900 .
N1 Cu2 1.989(13) 2_654
C1 C2 1.3900 .
C1 H1B 0.9500 .
C2 C3 1.3900 .
C2 H2A 0.9500 .
C3 C4 1.3900 .
C3 C6 1.43(3) .
C4 C5 1.3900 .
C4 H4A 0.9500 .
C5 H5A 0.9500 .
N2 C7 1.3900 .
N2 C11 1.3900 .
N2 Cu3 2.002(8) 1_655
C7 C8 1.3900 .
C7 H7A 0.9500 .
C8 C9 1.3900 .
C8 H8A 0.9500 .
C9 C10 1.3900 .
C9 C12 1.56(2) .
C10 C11 1.3900 .
C10 H10B 0.9500 .
C11 H11A 0.9500 .
N3 C13 1.3900 .
N3 C17 1.3900 .
C13 C14 1.3900 .
C13 H13A 0.9500 .
C14 C15 1.3900 .
C14 H14A 0.9500 .
C15 C16 1.3900 .
C15 C18 1.535(18) .
C16 C17 1.3900 .
C16 H16A 0.9500 .
C17 H17A 0.9500 .
N4 C19 1.3900 .
N4 C23 1.3900 .
N4 Cu4 2.012(10) 5_545
C19 C20 1.3900 .
C19 H19A 0.9500 .
C20 C21 1.3900 .
C20 H20A 0.9500 .
C21 C22 1.3900 .
C21 C24 1.54(3) .
C22 C23 1.3900 .
C22 H22A 0.9500 .
C23 H23A 0.9500 .
O1W O1W' 1.15(7) .
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
Cu2 I2 Cu1 N3 -134.7(5) . .
Cu4 I2 Cu1 N3 157.9(5) . .
Cu2 I2 Cu1 Cu4 67.41(10) . .
Cu2 I2 Cu1 Cu3 30.08(14) . .
Cu4 I2 Cu1 Cu3 -37.33(14) . .
Cu2 I2 Cu1 I3 98.45(13) . .
Cu4 I2 Cu1 I3 31.03(10) . .
Cu4 I2 Cu1 Cu2 -67.41(10) . .
Cu2 I2 Cu1 I1 -33.05(9) . .
Cu4 I2 Cu1 I1 -100.46(11) . .
Cu3 I3 Cu1 N3 130.4(4) . .
Cu4 I3 Cu1 N3 -158.6(4) . .
Cu3 I3 Cu1 Cu4 -70.98(11) . .
Cu4 I3 Cu1 Cu3 70.98(11) . .
Cu3 I3 Cu1 I2 -103.37(15) . .
Cu4 I3 Cu1 I2 -32.39(11) . .
Cu3 I3 Cu1 Cu2 -33.22(12) . .
Cu4 I3 Cu1 Cu2 37.76(11) . .
Cu3 I3 Cu1 I1 27.23(10) . .
Cu4 I3 Cu1 I1 98.21(12) . .
Cu2 I1 Cu1 N3 147.5(4) . .
Cu3 I1 Cu1 N3 -141.3(4) . .
Cu2 I1 Cu1 Cu4 -33.73(14) . .
Cu3 I1 Cu1 Cu4 37.45(14) . .
Cu2 I1 Cu1 Cu3 -71.19(13) . .
Cu2 I1 Cu1 I2 36.06(11) . .
Cu3 I1 Cu1 I2 107.24(13) . .
Cu2 I1 Cu1 I3 -99.10(13) . .
Cu3 I1 Cu1 I3 -27.91(12) . .
Cu3 I1 Cu1 Cu2 71.19(13) . .
Cu3 I1 Cu2 N1 154.5(4) . 2_655
Cu1 I1 Cu2 N1 -138.7(4) . 2_655
Cu1 I1 Cu2 Cu3 66.80(11) . .
Cu3 I1 Cu2 Cu4 -32.43(12) . .
Cu1 I1 Cu2 Cu4 34.37(12) . .
Cu3 I1 Cu2 I4 34.30(13) . .
Cu1 I1 Cu2 I4 101.09(15) . .
Cu3 I1 Cu2 Cu1 -66.80(11) . .
Cu3 I1 Cu2 I2 -100.77(14) . .
Cu1 I1 Cu2 I2 -33.98(11) . .
Cu4 I4 Cu2 N1 138.6(5) . 2_655
Cu3 I4 Cu2 N1 -153.0(5) . 2_655
Cu4 I4 Cu2 Cu3 -68.36(11) . .
Cu4 I4 Cu2 I1 -101.11(16) . .
Cu3 I4 Cu2 I1 -32.75(12) . .
Cu3 I4 Cu2 Cu4 68.36(11) . .
Cu4 I4 Cu2 Cu1 -28.06(12) . .
Cu3 I4 Cu2 Cu1 40.29(12) . .
Cu4 I4 Cu2 I2 33.81(12) . .
Cu3 I4 Cu2 I2 102.17(14) . .
N3 Cu1 Cu2 N1 33.8(9) . 2_655
Cu4 Cu1 Cu2 N1 -131.2(7) . 2_655
Cu3 Cu1 Cu2 N1 156.8(7) . 2_655
I2 Cu1 Cu2 N1 -55.5(7) . 2_655
I3 Cu1 Cu2 N1 -169.4(6) . 2_655
I1 Cu1 Cu2 N1 86.5(7) . 2_655
N3 Cu1 Cu2 Cu3 -122.9(5) . .
Cu4 Cu1 Cu2 Cu3 72.07(12) . .
I2 Cu1 Cu2 Cu3 147.75(13) . .
I3 Cu1 Cu2 Cu3 33.88(11) . .
I1 Cu1 Cu2 Cu3 -70.29(10) . .
N3 Cu1 Cu2 I1 -52.7(5) . .
Cu4 Cu1 Cu2 I1 142.36(14) . .
Cu3 Cu1 Cu2 I1 70.29(10) . .
I2 Cu1 Cu2 I1 -141.97(11) . .
I3 Cu1 Cu2 I1 104.17(12) . .
N3 Cu1 Cu2 Cu4 165.0(5) . .
Cu3 Cu1 Cu2 Cu4 -72.07(12) . .
I2 Cu1 Cu2 Cu4 75.67(11) . .
I3 Cu1 Cu2 Cu4 -38.19(12) . .
I1 Cu1 Cu2 Cu4 -142.36(14) . .
N3 Cu1 Cu2 I4 -166.6(5) . .
Cu4 Cu1 Cu2 I4 28.45(12) . .
Cu3 Cu1 Cu2 I4 -43.62(12) . .
I2 Cu1 Cu2 I4 104.12(12) . .
I3 Cu1 Cu2 I4 -9.74(17) . .
I1 Cu1 Cu2 I4 -113.91(14) . .
N3 Cu1 Cu2 I2 89.3(5) . .
Cu4 Cu1 Cu2 I2 -75.67(11) . .
Cu3 Cu1 Cu2 I2 -147.75(13) . .
I3 Cu1 Cu2 I2 -113.87(13) . .
I1 Cu1 Cu2 I2 141.97(11) . .
Cu1 I2 Cu2 N1 148.2(4) . 2_655
Cu4 I2 Cu2 N1 -143.6(4) . 2_655
Cu1 I2 Cu2 Cu3 -29.09(12) . .
Cu4 I2 Cu2 Cu3 39.10(11) . .
Cu1 I2 Cu2 I1 37.34(12) . .
Cu4 I2 Cu2 I1 105.54(15) . .
Cu1 I2 Cu2 Cu4 -68.19(12) . .
Cu1 I2 Cu2 I4 -100.88(15) . .
Cu4 I2 Cu2 I4 -32.68(11) . .
Cu4 I2 Cu2 Cu1 68.19(12) . .
N1 Cu2 Cu3 N2 13.5(10) 2_655 1_455
I1 Cu2 Cu3 N2 82.0(5) . 1_455
Cu4 Cu2 Cu3 N2 -132.6(5) . 1_455
I4 Cu2 Cu3 N2 -65.7(5) . 1_455
Cu1 Cu2 Cu3 N2 159.1(5) . 1_455
I2 Cu2 Cu3 N2 -172.6(5) . 1_455
N1 Cu2 Cu3 Cu1 -145.6(9) 2_655 .
I1 Cu2 Cu3 Cu1 -77.08(10) . .
Cu4 Cu2 Cu3 Cu1 68.38(11) . .
I4 Cu2 Cu3 Cu1 135.29(12) . .
I2 Cu2 Cu3 Cu1 28.36(11) . .
N1 Cu2 Cu3 Cu4 146.0(9) 2_655 .
I1 Cu2 Cu3 Cu4 -145.47(12) . .
I4 Cu2 Cu3 Cu4 66.90(8) . .
Cu1 Cu2 Cu3 Cu4 -68.38(11) . .
I2 Cu2 Cu3 Cu4 -40.03(10) . .
N1 Cu2 Cu3 I3 179.1(8) 2_655 .
I1 Cu2 Cu3 I3 -112.35(12) . .
Cu4 Cu2 Cu3 I3 33.12(11) . .
I4 Cu2 Cu3 I3 100.02(11) . .
Cu1 Cu2 Cu3 I3 -35.27(12) . .
I2 Cu2 Cu3 I3 -6.91(16) . .
N1 Cu2 Cu3 I1 -68.5(8) 2_655 .
Cu4 Cu2 Cu3 I1 145.47(12) . .
I4 Cu2 Cu3 I1 -147.63(11) . .
Cu1 Cu2 Cu3 I1 77.08(10) . .
I2 Cu2 Cu3 I1 105.44(11) . .
N1 Cu2 Cu3 I4 79.1(8) 2_655 .
I1 Cu2 Cu3 I4 147.63(11) . .
Cu4 Cu2 Cu3 I4 -66.90(8) . .
Cu1 Cu2 Cu3 I4 -135.29(12) . .
I2 Cu2 Cu3 I4 -106.93(11) . .
N3 Cu1 Cu3 N2 -16.5(13) . 1_455
Cu4 Cu1 Cu3 N2 144.6(10) . 1_455
I2 Cu1 Cu3 N2 -176.1(10) . 1_455
I3 Cu1 Cu3 N2 73.0(10) . 1_455
Cu2 Cu1 Cu3 N2 -144.3(10) . 1_455
I1 Cu1 Cu3 N2 -77.0(10) . 1_455
N3 Cu1 Cu3 Cu2 127.8(6) . .
Cu4 Cu1 Cu3 Cu2 -71.06(13) . .
I2 Cu1 Cu3 Cu2 -31.81(14) . .
I3 Cu1 Cu3 Cu2 -142.70(12) . .
I1 Cu1 Cu3 Cu2 67.28(11) . .
N3 Cu1 Cu3 Cu4 -161.1(6) . .
I2 Cu1 Cu3 Cu4 39.25(15) . .
I3 Cu1 Cu3 Cu4 -71.64(11) . .
Cu2 Cu1 Cu3 Cu4 71.06(13) . .
I1 Cu1 Cu3 Cu4 138.34(15) . .
N3 Cu1 Cu3 I3 -89.5(6) . .
Cu4 Cu1 Cu3 I3 71.64(11) . .
I2 Cu1 Cu3 I3 110.89(15) . .
Cu2 Cu1 Cu3 I3 142.70(12) . .
I1 Cu1 Cu3 I3 -150.02(12) . .
N3 Cu1 Cu3 I1 60.5(6) . .
Cu4 Cu1 Cu3 I1 -138.34(15) . .
I2 Cu1 Cu3 I1 -99.09(16) . .
I3 Cu1 Cu3 I1 150.02(12) . .
Cu2 Cu1 Cu3 I1 -67.28(11) . .
N3 Cu1 Cu3 I4 166.3(6) . .
Cu4 Cu1 Cu3 I4 -32.55(13) . .
I2 Cu1 Cu3 I4 6.7(2) . .
I3 Cu1 Cu3 I4 -104.20(11) . .
Cu2 Cu1 Cu3 I4 38.50(12) . .
I1 Cu1 Cu3 I4 105.78(14) . .
Cu1 I3 Cu3 N2 -154.7(4) . 1_455
Cu4 I3 Cu3 N2 136.6(4) . 1_455
Cu1 I3 Cu3 Cu2 35.64(12) . .
Cu4 I3 Cu3 Cu2 -33.07(12) . .
Cu4 I3 Cu3 Cu1 -68.71(11) . .
Cu1 I3 Cu3 Cu4 68.71(11) . .
Cu1 I3 Cu3 I1 -31.82(12) . .
Cu4 I3 Cu3 I1 -100.54(15) . .
Cu1 I3 Cu3 I4 98.40(13) . .
Cu4 I3 Cu3 I4 29.69(10) . .
Cu2 I1 Cu3 N2 -134.8(4) . 1_455
Cu1 I1 Cu3 N2 154.7(5) . 1_455
Cu1 I1 Cu3 Cu2 -70.54(12) . .
Cu2 I1 Cu3 Cu1 70.54(12) . .
Cu2 I1 Cu3 Cu4 32.40(14) . .
Cu1 I1 Cu3 Cu4 -38.14(13) . .
Cu2 I1 Cu3 I3 100.90(15) . .
Cu1 I1 Cu3 I3 30.36(12) . .
Cu2 I1 Cu3 I4 -29.04(10) . .
Cu1 I1 Cu3 I4 -99.58(12) . .
Cu4 I4 Cu3 N2 -145.2(4) . 1_455
Cu2 I4 Cu3 N2 140.7(4) . 1_455
Cu4 I4 Cu3 Cu2 74.06(13) . .
Cu4 I4 Cu3 Cu1 33.57(14) . .
Cu2 I4 Cu3 Cu1 -40.50(14) . .
Cu2 I4 Cu3 Cu4 -74.06(13) . .
Cu4 I4 Cu3 I3 -31.23(11) . .
Cu2 I4 Cu3 I3 -105.29(12) . .
Cu4 I4 Cu3 I1 103.75(13) . .
Cu2 I4 Cu3 I1 29.69(10) . .
N3 Cu1 Cu4 N4 -12.2(14) . 5_455
Cu3 Cu1 Cu4 N4 -152.6(8) . 5_455
I2 Cu1 Cu4 N4 66.5(8) . 5_455
I3 Cu1 Cu4 N4 -82.7(8) . 5_455
Cu2 Cu1 Cu4 N4 139.0(8) . 5_455
I1 Cu1 Cu4 N4 171.2(8) . 5_455
N3 Cu1 Cu4 I4 178.9(10) . .
Cu3 Cu1 Cu4 I4 38.50(16) . .
I2 Cu1 Cu4 I4 -102.40(15) . .
I3 Cu1 Cu4 I4 108.46(15) . .
Cu2 Cu1 Cu4 I4 -29.83(14) . .
I1 Cu1 Cu4 I4 2.3(2) . .
N3 Cu1 Cu4 Cu3 140.4(11) . .
I2 Cu1 Cu4 Cu3 -140.90(16) . .
I3 Cu1 Cu4 Cu3 69.96(12) . .
Cu2 Cu1 Cu4 Cu3 -68.33(14) . .
I1 Cu1 Cu4 Cu3 -36.21(13) . .
N3 Cu1 Cu4 Cu2 -151.2(10) . .
Cu3 Cu1 Cu4 Cu2 68.33(14) . .
I2 Cu1 Cu4 Cu2 -72.57(12) . .
I3 Cu1 Cu4 Cu2 138.29(12) . .
I1 Cu1 Cu4 Cu2 32.12(13) . .
N3 Cu1 Cu4 I3 70.5(10) . .
Cu3 Cu1 Cu4 I3 -69.96(12) . .
I2 Cu1 Cu4 I3 149.14(11) . .
Cu2 Cu1 Cu4 I3 -138.29(12) . .
I1 Cu1 Cu4 I3 -106.17(12) . .
N3 Cu1 Cu4 I2 -78.7(10) . .
Cu3 Cu1 Cu4 I2 140.90(16) . .
I3 Cu1 Cu4 I2 -149.14(11) . .
Cu2 Cu1 Cu4 I2 72.57(12) . .
I1 Cu1 Cu4 I2 104.69(14) . .
Cu2 I4 Cu4 N4 -141.9(6) . 5_455
Cu3 I4 Cu4 N4 151.9(6) . 5_455
Cu2 I4 Cu4 Cu1 30.16(15) . .
Cu3 I4 Cu4 Cu1 -36.02(14) . .
Cu2 I4 Cu4 Cu3 66.17(12) . .
Cu3 I4 Cu4 Cu2 -66.17(12) . .
Cu2 I4 Cu4 I3 98.86(13) . .
Cu3 I4 Cu4 I3 32.69(11) . .
Cu2 I4 Cu4 I2 -33.59(10) . .
Cu3 I4 Cu4 I2 -99.76(12) . .
N2 Cu3 Cu4 N4 -21.5(12) 1_455 5_455
Cu2 Cu3 Cu4 N4 -150.4(9) . 5_455
Cu1 Cu3 Cu4 N4 136.5(9) . 5_455
I3 Cu3 Cu4 N4 64.6(9) . 5_455
I1 Cu3 Cu4 N4 177.6(9) . 5_455
I4 Cu3 Cu4 N4 -81.6(9) . 5_455
N2 Cu3 Cu4 Cu1 -158.0(7) 1_455 .
Cu2 Cu3 Cu4 Cu1 73.11(14) . .
I3 Cu3 Cu4 Cu1 -71.85(12) . .
I1 Cu3 Cu4 Cu1 41.08(14) . .
I4 Cu3 Cu4 Cu1 141.94(16) . .
N2 Cu3 Cu4 I4 60.1(7) 1_455 .
Cu2 Cu3 Cu4 I4 -68.83(11) . .
Cu1 Cu3 Cu4 I4 -141.94(16) . .
I3 Cu3 Cu4 I4 146.21(11) . .
I1 Cu3 Cu4 I4 -100.86(15) . .
N2 Cu3 Cu4 Cu2 128.9(7) 1_455 .
Cu1 Cu3 Cu4 Cu2 -73.11(14) . .
I3 Cu3 Cu4 Cu2 -144.96(11) . .
I1 Cu3 Cu4 Cu2 -32.02(13) . .
I4 Cu3 Cu4 Cu2 68.83(11) . .
N2 Cu3 Cu4 I3 -86.1(7) 1_455 .
Cu2 Cu3 Cu4 I3 144.96(11) . .
Cu1 Cu3 Cu4 I3 71.85(12) . .
I1 Cu3 Cu4 I3 112.94(14) . .
I4 Cu3 Cu4 I3 -146.21(11) . .
N2 Cu3 Cu4 I2 168.0(7) 1_455 .
Cu2 Cu3 Cu4 I2 39.11(12) . .
Cu1 Cu3 Cu4 I2 -33.99(14) . .
I3 Cu3 Cu4 I2 -105.85(11) . .
I1 Cu3 Cu4 I2 7.09(18) . .
I4 Cu3 Cu4 I2 107.94(13) . .
N1 Cu2 Cu4 N4 0.5(9) 2_655 5_455
Cu3 Cu2 Cu4 N4 158.0(6) . 5_455
I1 Cu2 Cu4 N4 -169.1(6) . 5_455
I4 Cu2 Cu4 N4 79.4(6) . 5_455
Cu1 Cu2 Cu4 N4 -131.8(6) . 5_455
I2 Cu2 Cu4 N4 -65.2(6) . 5_455
N1 Cu2 Cu4 Cu1 132.4(6) 2_655 .
Cu3 Cu2 Cu4 Cu1 -70.18(12) . .
I1 Cu2 Cu4 Cu1 -37.28(12) . .
I4 Cu2 Cu4 Cu1 -148.81(14) . .
I2 Cu2 Cu4 Cu1 66.62(9) . .
N1 Cu2 Cu4 I4 -78.8(6) 2_655 .
Cu3 Cu2 Cu4 I4 78.63(11) . .
I1 Cu2 Cu4 I4 111.53(14) . .
Cu1 Cu2 Cu4 I4 148.81(14) . .
I2 Cu2 Cu4 I4 -144.57(11) . .
N1 Cu2 Cu4 Cu3 -157.5(6) 2_655 .
I1 Cu2 Cu4 Cu3 32.89(12) . .
I4 Cu2 Cu4 Cu3 -78.63(11) . .
Cu1 Cu2 Cu4 Cu3 70.18(12) . .
I2 Cu2 Cu4 Cu3 136.79(11) . .
N1 Cu2 Cu4 I3 170.6(6) 2_655 .
Cu3 Cu2 Cu4 I3 -31.90(11) . .
I1 Cu2 Cu4 I3 0.99(17) . .
I4 Cu2 Cu4 I3 -110.53(12) . .
Cu1 Cu2 Cu4 I3 38.28(11) . .
I2 Cu2 Cu4 I3 104.89(11) . .
N1 Cu2 Cu4 I2 65.7(6) 2_655 .
Cu3 Cu2 Cu4 I2 -136.79(11) . .
I1 Cu2 Cu4 I2 -103.90(13) . .
I4 Cu2 Cu4 I2 144.57(11) . .
Cu1 Cu2 Cu4 I2 -66.62(9) . .
Cu3 I3 Cu4 N4 -154.7(4) . 5_455
Cu1 I3 Cu4 N4 135.3(4) . 5_455
Cu3 I3 Cu4 Cu1 70.03(11) . .
Cu3 I3 Cu4 I4 -34.89(10) . .
Cu1 I3 Cu4 I4 -104.93(14) . .
Cu1 I3 Cu4 Cu3 -70.03(11) . .
Cu3 I3 Cu4 Cu2 31.48(11) . .
Cu1 I3 Cu4 Cu2 -38.55(12) . .
Cu3 I3 Cu4 I2 97.94(12) . .
Cu1 I3 Cu4 I2 27.91(10) . .
Cu1 I2 Cu4 N4 -140.8(4) . 5_455
Cu2 I2 Cu4 N4 146.6(4) . 5_455
Cu2 I2 Cu4 Cu1 -72.68(12) . .
Cu1 I2 Cu4 I4 105.92(14) . .
Cu2 I2 Cu4 I4 33.24(10) . .
Cu1 I2 Cu4 Cu3 34.87(14) . .
Cu2 I2 Cu4 Cu3 -37.81(13) . .
Cu1 I2 Cu4 Cu2 72.68(12) . .
Cu1 I2 Cu4 I3 -28.94(11) . .
Cu2 I2 Cu4 I3 -101.63(12) . .
O9 Nd1 Na1 O5 -54.2(8) . .
O7 Nd1 Na1 O5 -173.6(13) . .
O1 Nd1 Na1 O5 163.3(7) . .
O3 Nd1 Na1 O5 -118.6(8) . .
O6 Nd1 Na1 O5 31.2(7) . .
O10 Nd1 Na1 O5 98.3(8) . .
O8 Nd1 Na1 O5 7.7(14) . .
O2 Nd1 Na1 O5 121.4(7) . .
O4 Nd1 Na1 O5 -124.5(7) . .
C24 Nd1 Na1 O5 162(14) . .
C18 Nd1 Na1 O5 18.5(8) . .
O9 Nd1 Na1 O5 -127.4(8) . 3_554
O7 Nd1 Na1 O5 113.2(13) . 3_554
O1 Nd1 Na1 O5 90.1(7) . 3_554
O3 Nd1 Na1 O5 168.2(9) . 3_554
O6 Nd1 Na1 O5 -42.0(7) . 3_554
O10 Nd1 Na1 O5 25.1(9) . 3_554
O8 Nd1 Na1 O5 -65.5(14) . 3_554
O2 Nd1 Na1 O5 48.2(7) . 3_554
O5 Nd1 Na1 O5 -73.2(11) . 3_554
O4 Nd1 Na1 O5 162.3(7) . 3_554
C24 Nd1 Na1 O5 89(14) . 3_554
C18 Nd1 Na1 O5 -54.6(8) . 3_554
O9 Nd1 Na1 O3 64.4(9) . .
O7 Nd1 Na1 O3 -55.0(14) . .
O1 Nd1 Na1 O3 -78.0(8) . .
O6 Nd1 Na1 O3 149.9(8) . .
O10 Nd1 Na1 O3 -143.0(9) . .
O8 Nd1 Na1 O3 126.3(15) . .
O2 Nd1 Na1 O3 -119.9(8) . .
O5 Nd1 Na1 O3 118.6(8) . .
O4 Nd1 Na1 O3 -5.9(8) . .
C24 Nd1 Na1 O3 -79(14) . .
C18 Nd1 Na1 O3 137.2(8) . .
O9 Nd1 Na1 O3 113.5(9) . 3_554
O7 Nd1 Na1 O3 -5.9(13) . 3_554
O1 Nd1 Na1 O3 -28.9(8) . 3_554
O3 Nd1 Na1 O3 49.1(13) . 3_554
O6 Nd1 Na1 O3 -161.1(8) . 3_554
O10 Nd1 Na1 O3 -93.9(10) . 3_554
O8 Nd1 Na1 O3 175.4(15) . 3_554
O2 Nd1 Na1 O3 -70.8(8) . 3_554
O5 Nd1 Na1 O3 167.7(10) . 3_554
O4 Nd1 Na1 O3 43.2(8) . 3_554
C24 Nd1 Na1 O3 -30(14) . 3_554
C18 Nd1 Na1 O3 -173.7(9) . 3_554
O9 Nd1 Na1 O2 -175.7(8) . .
O7 Nd1 Na1 O2 64.9(13) . .
O1 Nd1 Na1 O2 41.9(6) . .
O3 Nd1 Na1 O2 119.9(8) . .
O6 Nd1 Na1 O2 -90.2(6) . .
O10 Nd1 Na1 O2 -23.1(8) . .
O8 Nd1 Na1 O2 -113.8(14) . .
O5 Nd1 Na1 O2 -121.4(7) . .
O4 Nd1 Na1 O2 114.1(7) . .
C24 Nd1 Na1 O2 41(14) . .
C18 Nd1 Na1 O2 -102.9(7) . .
O9 Nd1 Na1 O2 -12.3(9) . 3_554
O7 Nd1 Na1 O2 -131.8(13) . 3_554
O1 Nd1 Na1 O2 -154.8(8) . 3_554
O3 Nd1 Na1 O2 -76.8(8) . 3_554
O6 Nd1 Na1 O2 73.1(7) . 3_554
O10 Nd1 Na1 O2 140.2(8) . 3_554
O8 Nd1 Na1 O2 49.6(15) . 3_554
O2 Nd1 Na1 O2 163.3(10) . 3_554
O5 Nd1 Na1 O2 41.9(8) . 3_554
O4 Nd1 Na1 O2 -82.6(8) . 3_554
C24 Nd1 Na1 O2 -156(14) . 3_554
C18 Nd1 Na1 O2 60.4(8) . 3_554
O9 Nd1 Na1 Nd1 -92.0(6) . 3_554
O7 Nd1 Na1 Nd1 148.6(12) . 3_554
O1 Nd1 Na1 Nd1 125.6(4) . 3_554
O3 Nd1 Na1 Nd1 -156.4(6) . 3_554
O6 Nd1 Na1 Nd1 -6.5(4) . 3_554
O10 Nd1 Na1 Nd1 60.6(6) . 3_554
O8 Nd1 Na1 Nd1 -30.1(13) . 3_554
O2 Nd1 Na1 Nd1 83.7(5) . 3_554
O5 Nd1 Na1 Nd1 -37.8(5) . 3_554
O4 Nd1 Na1 Nd1 -162.3(5) . 3_554
C24 Nd1 Na1 Nd1 124(14) . 3_554
C18 Nd1 Na1 Nd1 -19.2(5) . 3_554
O9 Nd1 O1 C6 -124.6(16) . .
O7 Nd1 O1 C6 156.6(16) . .
O3 Nd1 O1 C6 -75.8(14) . .
O6 Nd1 O1 C6 37.7(17) . .
O10 Nd1 O1 C6 80.6(15) . .
O8 Nd1 O1 C6 133.8(14) . .
O2 Nd1 O1 C6 -1.1(13) . .
O5 Nd1 O1 C6 -22.9(16) . .
O4 Nd1 O1 C6 -128.3(15) . .
C24 Nd1 O1 C6 145.2(16) . .
C18 Nd1 O1 C6 5.7(18) . .
O5 Na1 O2 C6 -138(2) . .
O5 Na1 O2 C6 115.2(19) 3_554 .
O3 Na1 O2 C6 -60.3(19) . .
O3 Na1 O2 C6 39(2) 3_554 .
O2 Na1 O2 C6 168.0(19) 3_554 .
Nd1 Na1 O2 C6 -99.0(19) . .
Nd1 Na1 O2 C6 87(2) 3_554 .
O5 Na1 O2 Nd1 -38.5(5) . .
O5 Na1 O2 Nd1 -145.8(5) 3_554 .
O3 Na1 O2 Nd1 38.7(5) . .
O3 Na1 O2 Nd1 138.4(5) 3_554 .
O2 Na1 O2 Nd1 -93.0(3) 3_554 .
Nd1 Na1 O2 Nd1 -174.2(4) 3_554 .
O9 Nd1 O2 C6 131.1(15) . .
O7 Nd1 O2 C6 -24.4(14) . .
O1 Nd1 O2 C6 1.1(12) . .
O3 Nd1 O2 C6 87.5(13) . .
O6 Nd1 O2 C6 -149.8(13) . .
O10 Nd1 O2 C6 -78.3(14) . .
O8 Nd1 O2 C6 -94.1(14) . .
O5 Nd1 O2 C6 160.3(13) . .
O4 Nd1 O2 C6 53.2(13) . .
C24 Nd1 O2 C6 -52.6(16) . .
C18 Nd1 O2 C6 -173.4(14) . .
O9 Nd1 O2 Na1 6.6(12) . .
O7 Nd1 O2 Na1 -149.0(6) . .
O1 Nd1 O2 Na1 -123.5(8) . .
O3 Nd1 O2 Na1 -37.0(5) . .
O6 Nd1 O2 Na1 85.6(5) . .
O10 Nd1 O2 Na1 157.1(7) . .
O8 Nd1 O2 Na1 141.4(7) . .
O5 Nd1 O2 Na1 35.8(4) . .
O4 Nd1 O2 Na1 -71.4(6) . .
C24 Nd1 O2 Na1 -177.2(9) . .
C18 Nd1 O2 Na1 62.0(6) . .
O5 Na1 O3 C12 177(8) . .
O5 Na1 O3 C12 69(9) 3_554 .
O3 Na1 O3 C12 -13(7) 3_554 .
O2 Na1 O3 C12 97(8) . .
O2 Na1 O3 C12 -93(8) 3_554 .
Nd1 Na1 O3 C12 136(8) . .
Nd1 Na1 O3 C12 -46(8) 3_554 .
O5 Na1 O3 Nd1 40.3(5) . .
O5 Na1 O3 Nd1 -67(4) 3_554 .
O3 Na1 O3 Nd1 -149.6(8) 3_554 .
O2 Na1 O3 Nd1 -39.6(5) . .
O2 Na1 O3 Nd1 130.8(6) 3_554 .
Nd1 Na1 O3 Nd1 177.4(2) 3_554 .
O9 Nd1 O3 C12 73.4(14) . .
O7 Nd1 O3 C12 -18.3(16) . .
O1 Nd1 O3 C12 -79.2(14) . .
O6 Nd1 O3 C12 154.2(13) . .
O10 Nd1 O3 C12 -113.6(15) . .
O8 Nd1 O3 C12 47.8(18) . .
O2 Nd1 O3 C12 -133.9(14) . .
O5 Nd1 O3 C12 151.3(15) . .
O4 Nd1 O3 C12 1.0(13) . .
C24 Nd1 O3 C12 4(2) . .
C18 Nd1 O3 C12 151.8(14) . .
O9 Nd1 O3 Na1 -115.3(8) . .
O7 Nd1 O3 Na1 153.1(7) . .
O1 Nd1 O3 Na1 92.1(6) . .
O6 Nd1 O3 Na1 -34.4(9) . .
O10 Nd1 O3 Na1 57.8(11) . .
O8 Nd1 O3 Na1 -140.8(8) . .
O2 Nd1 O3 Na1 37.4(5) . .
O5 Nd1 O3 Na1 -37.4(5) . .
O4 Nd1 O3 Na1 172.3(10) . .
C24 Nd1 O3 Na1 175.6(10) . .
C18 Nd1 O3 Na1 -36.9(7) . .
O9 Nd1 O4 C12 -95.1(17) . .
O7 Nd1 O4 C12 161.3(17) . .
O1 Nd1 O4 C12 82.6(16) . .
O3 Nd1 O4 C12 -1.1(14) . .
O6 Nd1 O4 C12 -71(2) . .
O10 Nd1 O4 C12 121.7(16) . .
O8 Nd1 O4 C12 -157.8(15) . .
O2 Nd1 O4 C12 42.0(17) . .
O5 Nd1 O4 C12 -30.4(17) . .
C24 Nd1 O4 C12 -179.0(17) . .
C18 Nd1 O4 C12 -44.6(19) . .
O5 Na1 O5 C18 34.1(17) 3_554 .
O3 Na1 O5 C18 -136(2) . .
O3 Na1 O5 C18 139(3) 3_554 .
O2 Na1 O5 C18 -58.3(19) . .
O2 Na1 O5 C18 112.0(19) 3_554 .
Nd1 Na1 O5 C18 -97(2) . .
Nd1 Na1 O5 C18 80(2) 3_554 .
O5 Na1 O5 Nd1 131.0(6) 3_554 .
O3 Na1 O5 Nd1 -39.4(5) . .
O3 Na1 O5 Nd1 -124(3) 3_554 .
O2 Na1 O5 Nd1 38.6(5) . .
O2 Na1 O5 Nd1 -151.2(5) 3_554 .
Nd1 Na1 O5 Nd1 176.6(2) 3_554 .
O9 Nd1 O5 C18 -95.2(15) . .
O7 Nd1 O5 C18 -55(4) . .
O1 Nd1 O5 C18 122.4(13) . .
O3 Nd1 O5 C18 178.9(15) . .
O6 Nd1 O5 C18 2.3(13) . .
O10 Nd1 O5 C18 44.2(15) . .
O8 Nd1 O5 C18 -35.6(16) . .
O2 Nd1 O5 C18 104.1(14) . .
O4 Nd1 O5 C18 -157.0(13) . .
C24 Nd1 O5 C18 -38(2) . .
O9 Nd1 O5 Na1 123.9(8) . .
O7 Nd1 O5 Na1 164(3) . .
O1 Nd1 O5 Na1 -18.5(8) . .
O3 Nd1 O5 Na1 38.0(5) . .
O6 Nd1 O5 Na1 -138.6(9) . .
O10 Nd1 O5 Na1 -96.7(8) . .
O8 Nd1 O5 Na1 -176.5(6) . .
O2 Nd1 O5 Na1 -36.7(5) . .
O4 Nd1 O5 Na1 62.1(7) . .
C24 Nd1 O5 Na1 -178.5(12) . .
C18 Nd1 O5 Na1 -140.9(16) . .
O9 Nd1 O6 C18 71.5(16) . .
O7 Nd1 O6 C18 166.4(15) . .
O1 Nd1 O6 C18 -97.9(16) . .
O3 Nd1 O6 C18 -5.9(18) . .
O10 Nd1 O6 C18 -140.9(17) . .
O8 Nd1 O6 C18 142.7(17) . .
O2 Nd1 O6 C18 -68.3(16) . .
O5 Nd1 O6 C18 -2.4(14) . .
O4 Nd1 O6 C18 49(2) . .
C24 Nd1 O6 C18 154.8(17) . .
O9 Nd1 O6 Na2 -62.2(10) . .
O7 Nd1 O6 Na2 32.7(12) . .
O1 Nd1 O6 Na2 128.4(9) . .
O3 Nd1 O6 Na2 -139.6(9) . .
O10 Nd1 O6 Na2 85.5(10) . .
O8 Nd1 O6 Na2 9.1(9) . .
O2 Nd1 O6 Na2 158.1(9) . .
O5 Nd1 O6 Na2 -136.0(12) . .
O4 Nd1 O6 Na2 -84.8(14) . .
C24 Nd1 O6 Na2 21.1(11) . .
C18 Nd1 O6 Na2 -134(2) . .
O9 Nd1 O7 C24 63(2) . .
O1 Nd1 O7 C24 -154(2) . .
O3 Nd1 O7 C24 145(2) . .
O6 Nd1 O7 C24 -27(2) . .
O10 Nd1 O7 C24 -79(2) . .
O8 Nd1 O7 C24 2(2) . .
O2 Nd1 O7 C24 -133(2) . .
O5 Nd1 O7 C24 24(4) . .
O4 Nd1 O7 C24 130(2) . .
C18 Nd1 O7 C24 -17(3) . .
O9 Nd1 O8 C24 -116(2) . .
O7 Nd1 O8 C24 -2.0(19) . .
O1 Nd1 O8 C24 26(2) . .
O3 Nd1 O8 C24 -89(2) . .
O6 Nd1 O8 C24 153(2) . .
O10 Nd1 O8 C24 78(2) . .
O2 Nd1 O8 C24 94(2) . .
O5 Nd1 O8 C24 -177.4(19) . .
O4 Nd1 O8 C24 -53(2) . .
C18 Nd1 O8 C24 168(2) . .
O9 Nd1 O8 Na2 82.6(11) . .
O7 Nd1 O8 Na2 -163.9(14) . .
O1 Nd1 O8 Na2 -136.0(9) . .
O3 Nd1 O8 Na2 109.4(12) . .
O6 Nd1 O8 Na2 -9.0(10) . .
O10 Nd1 O8 Na2 -83.6(11) . .
O2 Nd1 O8 Na2 -67.9(13) . .
O5 Nd1 O8 Na2 20.8(12) . .
O4 Nd1 O8 Na2 144.9(10) . .
C24 Nd1 O8 Na2 -162(3) . .
C18 Nd1 O8 Na2 5.7(11) . .
C5 N1 C1 C2 0.0 . .
Cu2 N1 C1 C2 -163.2(9) 2_654 .
N1 C1 C2 C3 0.0 . .
C1 C2 C3 C4 0.0 . .
C1 C2 C3 C6 175.7(16) . .
C2 C3 C4 C5 0.0 . .
C6 C3 C4 C5 -175.6(17) . .
C3 C4 C5 N1 0.0 . .
C1 N1 C5 C4 0.0 . .
Cu2 N1 C5 C4 163.1(10) 2_654 .
C11 N2 C7 C8 0.0 . .
Cu3 N2 C7 C8 -169.3(11) 1_655 .
N2 C7 C8 C9 0.0 . .
C7 C8 C9 C10 0.0 . .
C7 C8 C9 C12 178.5(17) . .
C8 C9 C10 C11 0.0 . .
C12 C9 C10 C11 -178.5(16) . .
C9 C10 C11 N2 0.0 . .
C7 N2 C11 C10 0.0 . .
Cu3 N2 C11 C10 169.1(10) 1_655 .
Cu4 Cu1 N3 C13 54.1(15) . .
Cu3 Cu1 N3 C13 -176.9(6) . .
I2 Cu1 N3 C13 -16.4(9) . .
I3 Cu1 N3 C13 115.6(7) . .
Cu2 Cu1 N3 C13 -87.6(9) . .
I1 Cu1 N3 C13 -129.1(8) . .
Cu4 Cu1 N3 C17 -135.1(9) . .
Cu3 Cu1 N3 C17 -6.1(10) . .
I2 Cu1 N3 C17 154.4(6) . .
I3 Cu1 N3 C17 -73.5(7) . .
Cu2 Cu1 N3 C17 83.2(8) . .
I1 Cu1 N3 C17 41.7(7) . .
C17 N3 C13 C14 0.0 . .
Cu1 N3 C13 C14 170.7(10) . .
N3 C13 C14 C15 0.0 . .
C13 C14 C15 C16 0.0 . .
C13 C14 C15 C18 -175.1(15) . .
C14 C15 C16 C17 0.0 . .
C18 C15 C16 C17 175.3(14) . .
C15 C16 C17 N3 0.0 . .
C13 N3 C17 C16 0.0 . .
Cu1 N3 C17 C16 -170.9(10) . .
C23 N4 C19 C20 0.0 . .
Cu4 N4 C19 C20 -170.0(13) 5_545 .
N4 C19 C20 C21 0.0 . .
C19 C20 C21 C22 0.0 . .
C19 C20 C21 C24 177(2) . .
C20 C21 C22 C23 0.0 . .
C24 C21 C22 C23 -177(2) . .
C21 C22 C23 N4 0.0 . .
C19 N4 C23 C22 0.0 . .
Cu4 N4 C23 C22 169.7(13) 5_545 .
Nd1 O1 C6 O2 2(2) . .
Nd1 O1 C6 C3 178.6(19) . .
Na1 O2 C6 O1 97(2) . .
Nd1 O2 C6 O1 -2(2) . .
Na1 O2 C6 C3 -80(3) . .
Nd1 O2 C6 C3 -178.7(19) . .
Na1 O2 C6 Nd1 98.4(14) . .
C4 C3 C6 O1 -174.0(18) . .
C2 C3 C6 O1 10(3) . .
C4 C3 C6 O2 3(3) . .
C2 C3 C6 O2 -173.1(16) . .
C4 C3 C6 Nd1 -95(71) . .
C2 C3 C6 Nd1 90(72) . .
O9 Nd1 C6 O1 93.8(19) . .
O7 Nd1 C6 O1 -22.7(15) . .
O3 Nd1 C6 O1 95.9(15) . .
O6 Nd1 C6 O1 -150.2(14) . .
O10 Nd1 C6 O1 -89.9(15) . .
O8 Nd1 C6 O1 -64.0(17) . .
O2 Nd1 C6 O1 178(2) . .
O5 Nd1 C6 O1 159.7(14) . .
O4 Nd1 C6 O1 48.5(14) . .
C24 Nd1 C6 O1 -39.8(17) . .
C18 Nd1 C6 O1 -175.4(14) . .
O9 Nd1 C6 O2 -84.2(19) . .
O7 Nd1 C6 O2 159.3(12) . .
O1 Nd1 C6 O2 -178(2) . .
O3 Nd1 C6 O2 -82.1(12) . .
O6 Nd1 C6 O2 31.8(13) . .
O10 Nd1 C6 O2 92.1(13) . .
O8 Nd1 C6 O2 118.0(12) . .
O5 Nd1 C6 O2 -18.3(12) . .
O4 Nd1 C6 O2 -129.5(12) . .
C24 Nd1 C6 O2 142.2(13) . .
C18 Nd1 C6 O2 6.6(14) . .
O9 Nd1 C6 C3 14(72) . .
O7 Nd1 C6 C3 -103(72) . .
O1 Nd1 C6 C3 -80(71) . .
O3 Nd1 C6 C3 16(72) . .
O6 Nd1 C6 C3 130(72) . .
O10 Nd1 C6 C3 -170(100) . .
O8 Nd1 C6 C3 -144(71) . .
O2 Nd1 C6 C3 98(72) . .
O5 Nd1 C6 C3 80(72) . .
O4 Nd1 C6 C3 -32(72) . .
C24 Nd1 C6 C3 -120(72) . .
C18 Nd1 C6 C3 104(72) . .
Nd1 O4 C12 O3 2(3) . .
Nd1 O4 C12 C9 -176.3(18) . .
Na1 O3 C12 O4 -138(6) . .
Nd1 O3 C12 O4 -2(3) . .
Na1 O3 C12 C9 40(9) . .
Nd1 O3 C12 C9 176.4(15) . .
Na1 O3 C12 Nd1 -136(8) . .
C8 C9 C12 O4 -173(2) . .
C10 C9 C12 O4 5(3) . .
C8 C9 C12 O3 8(3) . .
C10 C9 C12 O3 -173.3(16) . .
C8 C9 C12 Nd1 40(14) . .
C10 C9 C12 Nd1 -142(13) . .
O9 Nd1 C12 O4 77.2(17) . .
O7 Nd1 C12 O4 -17.8(17) . .
O1 Nd1 C12 O4 -89.3(16) . .
O3 Nd1 C12 O4 178(2) . .
O6 Nd1 C12 O4 141.1(15) . .
O10 Nd1 C12 O4 -84.1(19) . .
O8 Nd1 C12 O4 27.5(19) . .
O2 Nd1 C12 O4 -139.8(16) . .
O5 Nd1 C12 O4 151.9(16) . .
C24 Nd1 C12 O4 1.1(18) . .
C18 Nd1 C12 O4 146.4(15) . .
O9 Nd1 C12 O3 -100.9(15) . .
O7 Nd1 C12 O3 164.1(14) . .
O1 Nd1 C12 O3 92.5(14) . .
O6 Nd1 C12 O3 -37.0(18) . .
O10 Nd1 C12 O3 97.8(16) . .
O8 Nd1 C12 O3 -150.7(13) . .
O2 Nd1 C12 O3 42.1(13) . .
O5 Nd1 C12 O3 -26.3(14) . .
O4 Nd1 C12 O3 -178(2) . .
C24 Nd1 C12 O3 -177.0(14) . .
C18 Nd1 C12 O3 -31.7(15) . .
O9 Nd1 C12 C9 -134(14) . .
O7 Nd1 C12 C9 131(14) . .
O1 Nd1 C12 C9 59(14) . .
O3 Nd1 C12 C9 -33(13) . .
O6 Nd1 C12 C9 -70(14) . .
O10 Nd1 C12 C9 64(14) . .
O8 Nd1 C12 C9 176(13) . .
O2 Nd1 C12 C9 9(14) . .
O5 Nd1 C12 C9 -60(14) . .
O4 Nd1 C12 C9 149(14) . .
C24 Nd1 C12 C9 150(13) . .
C18 Nd1 C12 C9 -65(14) . .
Nd1 O6 C18 O5 5(3) . .
Na2 O6 C18 O5 120(2) . .
Nd1 O6 C18 C15 178.6(17) . .
Na2 O6 C18 C15 -66(3) . .
Na2 O6 C18 Nd1 115.7(19) . .
Na1 O5 C18 O6 94(3) . .
Nd1 O5 C18 O6 -5(3) . .
Na1 O5 C18 C15 -80(3) . .
Nd1 O5 C18 C15 -178.9(15) . .
Na1 O5 C18 Nd1 98.6(17) . .
C16 C15 C18 O6 -5(3) . .
C14 C15 C18 O6 170.2(18) . .
C16 C15 C18 O5 169.6(15) . .
C14 C15 C18 O5 -15(2) . .
C16 C15 C18 Nd1 148(31) . .
C14 C15 C18 Nd1 -37(32) . .
O9 Nd1 C18 O6 -105.5(16) . .
O7 Nd1 C18 O6 -21(2) . .
O1 Nd1 C18 O6 102.4(16) . .
O3 Nd1 C18 O6 174.8(16) . .
O10 Nd1 C18 O6 36.6(16) . .
O8 Nd1 C18 O6 -35.8(17) . .
O2 Nd1 C18 O6 107.9(16) . .
O5 Nd1 C18 O6 176(2) . .
O4 Nd1 C18 O6 -153.3(15) . .
C24 Nd1 C18 O6 -29.3(19) . .
O9 Nd1 C18 O5 78.7(14) . .
O7 Nd1 C18 O5 163.4(14) . .
O1 Nd1 C18 O5 -73.4(15) . .
O3 Nd1 C18 O5 -1.0(14) . .
O6 Nd1 C18 O5 -176(2) . .
O10 Nd1 C18 O5 -139.2(14) . .
O8 Nd1 C18 O5 148.4(14) . .
O2 Nd1 C18 O5 -67.8(13) . .
O4 Nd1 C18 O5 30.9(17) . .
C24 Nd1 C18 O5 154.9(14) . .
O9 Nd1 C18 C15 101(32) . .
O7 Nd1 C18 C15 -175(100) . .
O1 Nd1 C18 C15 -51(32) . .
O3 Nd1 C18 C15 21(32) . .
O6 Nd1 C18 C15 -154(33) . .
O10 Nd1 C18 C15 -117(32) . .
O8 Nd1 C18 C15 170(32) . .
O2 Nd1 C18 C15 -46(32) . .
O5 Nd1 C18 C15 22(31) . .
O4 Nd1 C18 C15 53(32) . .
C24 Nd1 C18 C15 177(100) . .
Nd1 O7 C24 O8 -4(4) . .
Nd1 O7 C24 C21 166(2) . .
Nd1 O8 C24 O7 4(4) . .
Na2 O8 C24 O7 135(4) . .
Nd1 O8 C24 C21 -167(3) . .
Na2 O8 C24 C21 -35(7) . .
Na2 O8 C24 Nd1 131(5) . .
C20 C21 C24 O7 0(4) . .
C22 C21 C24 O7 177(2) . .
C20 C21 C24 O8 171(2) . .
C22 C21 C24 O8 -12(4) . .
C20 C21 C24 Nd1 77(8) . .
C22 C21 C24 Nd1 -107(7) . .
O9 Nd1 C24 O7 -117(2) . .
O1 Nd1 C24 O7 25(2) . .
O3 Nd1 C24 O7 -49(3) . .
O6 Nd1 C24 O7 157(2) . .
O10 Nd1 C24 O7 91(2) . .
O8 Nd1 C24 O7 -176(4) . .
O2 Nd1 C24 O7 65(2) . .
O5 Nd1 C24 O7 -172.4(15) . .
O4 Nd1 C24 O7 -47(2) . .
C18 Nd1 C24 O7 169.3(18) . .
O9 Nd1 C24 O8 59(2) . .
O7 Nd1 C24 O8 176(4) . .
O1 Nd1 C24 O8 -158.2(19) . .
O3 Nd1 C24 O8 127.1(17) . .
O6 Nd1 C24 O8 -26(2) . .
O10 Nd1 C24 O8 -92(2) . .
O2 Nd1 C24 O8 -118.4(18) . .
O5 Nd1 C24 O8 4(3) . .
O4 Nd1 C24 O8 130(2) . .
C18 Nd1 C24 O8 -14(2) . .
O9 Nd1 C24 C21 160(8) . .
O7 Nd1 C24 C21 -83(8) . .
O1 Nd1 C24 C21 -57(8) . .
O3 Nd1 C24 C21 -132(7) . .
O6 Nd1 C24 C21 75(8) . .
O10 Nd1 C24 C21 9(7) . .
O8 Nd1 C24 C21 101(8) . .
O2 Nd1 C24 C21 -17(8) . .
O5 Nd1 C24 C21 105(7) . .
O4 Nd1 C24 C21 -129(8) . .
C18 Nd1 C24 C21 87(8) . .
C18 O6 Na2 O8 -119(2) . .
Nd1 O6 Na2 O8 -9.0(9) . .
C18 O6 Na2 Nd1 -110(2) . .
C24 O8 Na2 O6 -120(5) . .
Nd1 O8 Na2 O6 8.9(9) . .
C24 O8 Na2 Nd1 -129(6) . .
O9 Nd1 Na2 O6 110.7(11) . .
O7 Nd1 Na2 O6 -152.8(10) . .
O1 Nd1 Na2 O6 -90.2(11) . .
O3 Nd1 Na2 O6 66.4(12) . .
O10 Nd1 Na2 O6 -81.6(10) . .
O8 Nd1 Na2 O6 -165.6(15) . .
O2 Nd1 Na2 O6 -25.4(10) . .
O5 Nd1 Na2 O6 33.2(9) . .
O4 Nd1 Na2 O6 144.0(9) . .
C24 Nd1 Na2 O6 -156.5(13) . .
C18 Nd1 Na2 O6 21.2(9) . .
O9 Nd1 Na2 O8 -83.7(12) . .
O7 Nd1 Na2 O8 12.8(11) . .
O1 Nd1 Na2 O8 75.4(14) . .
O3 Nd1 Na2 O8 -128.0(11) . .
O6 Nd1 Na2 O8 165.6(15) . .
O10 Nd1 Na2 O8 83.9(12) . .
O2 Nd1 Na2 O8 140.2(10) . .
O5 Nd1 Na2 O8 -161.3(11) . .
O4 Nd1 Na2 O8 -50.5(13) . .
C24 Nd1 Na2 O8 9.0(13) . .
C18 Nd1 Na2 O8 -173.2(13) . .
