#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:23:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179720 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/22/7002278.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_7002278
loop_
_publ_author_name
'Chi, Yu-Xian'
'Niu, Shu-Yun'
'Jin, Jing'
'Wang, Ru'
'Li, Ye'
_publ_section_title
;
 Syntheses, structures and photophysical properties of tetranuclear
 Cd--Ln coordination complexes
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              7653
_journal_page_last               7659
_journal_paper_doi               10.1039/b905113a
_journal_year                    2009
_chemical_formula_sum            'C52 H43 Cd N2 Nd O10'
_chemical_formula_weight         1112.52
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.712(2)
_cell_angle_beta                 99.311(2)
_cell_angle_gamma                110.6320(10)
_cell_formula_units_Z            2
_cell_length_a                   13.4169(15)
_cell_length_b                   15.0768(17)
_cell_length_c                   15.098(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2418.8(6)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997a)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Smart Apex II CCD'
_diffrn_measurement_method       CCD
_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  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13153
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.560
_exptl_absorpt_correction_T_max  0.8596
_exptl_absorpt_correction_T_min  0.8596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1114
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.581
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     671
_refine_ls_number_reflns         9274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0392P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0902
_reflns_number_gt                6625
_reflns_number_total             9274
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b905113a.txt
_cod_data_source_block           c70432
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2418.7(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002278
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.94687(2) 0.45754(2) 0.345109(17) 0.03945(9) Uani 1 1 d . . .
Cd2 Cd 0.81980(3) 0.46363(3) 0.09497(2) 0.04659(11) Uani 1 1 d . . .
N1 N 0.7794(3) 0.4646(3) -0.0617(3) 0.0467(9) Uani 1 1 d . . .
N2 N 0.7052(3) 0.5550(3) 0.0940(3) 0.0534(10) Uani 1 1 d . . .
O1 O 1.1192(3) 0.6346(3) 0.4568(2) 0.0527(8) Uani 1 1 d . . .
O2 O 0.8713(3) 0.3128(3) 0.3787(3) 0.0598(9) Uani 1 1 d . . .
O3 O 0.8883(3) 0.5345(3) 0.4833(2) 0.0556(9) Uani 1 1 d . . .
O4 O 1.0997(3) 0.4050(3) 0.3530(2) 0.0619(9) Uani 1 1 d . . .
O5 O 0.7479(3) 0.3711(3) 0.2400(3) 0.0675(10) Uani 1 1 d . . .
O6 O 0.6662(3) 0.3260(3) 0.0766(3) 0.0675(10) Uani 1 1 d . . .
O7 O 0.9073(3) 0.3674(3) 0.0262(2) 0.0601(9) Uani 1 1 d . . .
O8 O 0.9432(3) 0.3675(3) 0.1733(2) 0.0590(9) Uani 1 1 d . . .
O9 O 0.9147(3) 0.5813(3) 0.2906(2) 0.0557(9) Uani 1 1 d . . .
O10 O 0.9768(3) 0.6423(3) 0.1922(3) 0.0651(10) Uani 1 1 d . . .
C1 C 1.3160(5) 0.8379(5) 0.5316(5) 0.0692(17) Uani 1 1 d . . .
H1A H 1.292(4) 0.781(4) 0.468(4) 0.075(18) Uiso 1 1 d . . .
C2 C 1.4048(6) 0.9401(5) 0.5707(5) 0.096(2) Uani 1 1 d . . .
H2A H 1.4447 0.9518 0.5283 0.115 Uiso 1 1 calc R . .
C3 C 1.4379(5) 1.0267(5) 0.6703(5) 0.0759(17) Uani 1 1 d . . .
C4 C 1.3782(5) 1.0056(5) 0.7309(5) 0.0738(17) Uani 1 1 d . . .
H4A H 1.393(4) 1.059(4) 0.802(4) 0.085(19) Uiso 1 1 d . . .
C5 C 1.2883(5) 0.9018(5) 0.6930(4) 0.0662(15) Uani 1 1 d . . .
H5A H 1.243(5) 0.887(4) 0.741(4) 0.093(19) Uiso 1 1 d . . .
C6 C 1.2568(4) 0.8163(4) 0.5930(4) 0.0489(12) Uani 1 1 d . . .
C7 C 1.1619(4) 0.7049(4) 0.5534(4) 0.0491(12) Uani 1 1 d . . .
C8 C 1.5359(6) 1.1393(5) 0.7124(6) 0.118(3) Uani 1 1 d . . .
H8A H 1.5455 1.1878 0.7829 0.178 Uiso 1 1 calc R . .
H8B H 1.5199 1.1686 0.6695 0.178 Uiso 1 1 calc R . .
H8C H 1.6047 1.1334 0.7117 0.178 Uiso 1 1 calc R . .
C9 C 0.7415(6) 0.6709(7) 0.6207(5) 0.107(3) Uani 1 1 d . . .
H9A H 0.779(4) 0.691(4) 0.679(4) 0.051(14) Uiso 1 1 d . . .
C10 C 0.6574(7) 0.7004(7) 0.6059(5) 0.137(4) Uani 1 1 d . . .
H10A H 0.6425 0.7420 0.6629 0.164 Uiso 1 1 calc R . .
C11 C 0.5943(7) 0.6680(7) 0.5053(6) 0.132(3) Uani 1 1 d . . .
C12 C 0.6170(6) 0.6051(7) 0.4237(6) 0.108(3) Uani 1 1 d . . .
H12A H 0.573(5) 0.576(5) 0.353(5) 0.10(2) Uiso 1 1 d . . .
C13 C 0.7007(6) 0.5743(6) 0.4392(5) 0.080(2) Uani 1 1 d . . .
H13A H 0.705(4) 0.526(4) 0.381(4) 0.080(19) Uiso 1 1 d . . .
C14 C 0.7652(4) 0.6086(4) 0.5383(4) 0.0597(14) Uani 1 1 d . . .
C15 C 0.8572(4) 0.5771(4) 0.5575(4) 0.0496(12) Uani 1 1 d . . .
C16 C 0.4995(8) 0.6994(10) 0.4868(7) 0.214(6) Uani 1 1 d . . .
H16A H 0.4648 0.6699 0.4132 0.322 Uiso 1 1 calc R . .
H16B H 0.5315 0.7785 0.5235 0.322 Uiso 1 1 calc R . .
H16C H 0.4428 0.6696 0.5120 0.322 Uiso 1 1 calc R . .
C17 C 0.5511(5) 0.2091(5) 0.2240(5) 0.0697(16) Uani 1 1 d . . .
H17A H 0.606(4) 0.267(4) 0.293(4) 0.069(16) Uiso 1 1 d . . .
C18 C 0.4596(6) 0.1199(6) 0.2119(7) 0.094(2) Uani 1 1 d . . .
H18A H 0.4505 0.1173 0.2707 0.113 Uiso 1 1 calc R . .
C19 C 0.3827(6) 0.0361(7) 0.1155(9) 0.101(3) Uani 1 1 d . . .
C20 C 0.3971(7) 0.0450(6) 0.0314(8) 0.109(3) Uani 1 1 d . . .
H20A H 0.360(5) -0.003(4) -0.033(4) 0.067(18) Uiso 1 1 d . . .
C21 C 0.4876(5) 0.1329(5) 0.0396(5) 0.0750(17) Uani 1 1 d . . .
H21A H 0.512(5) 0.137(5) -0.027(4) 0.10(2) Uiso 1 1 d . . .
C22 C 0.5671(4) 0.2171(4) 0.1394(4) 0.0512(12) Uani 1 1 d . . .
C23 C 0.6685(4) 0.3125(4) 0.1534(4) 0.0524(12) Uani 1 1 d . . .
C24 C 0.2805(6) -0.0646(7) 0.0982(9) 0.186(5) Uani 1 1 d . . .
H24A H 0.2371 -0.1140 0.0246 0.279 Uiso 1 1 calc R . .
H24B H 0.2330 -0.0410 0.1330 0.279 Uiso 1 1 calc R . .
H24C H 0.3074 -0.1021 0.1262 0.279 Uiso 1 1 calc R . .
C25 C 1.0378(5) 0.2227(5) 0.0966(4) 0.0624(15) Uani 1 1 d . . .
H25A H 1.029(4) 0.240(4) 0.163(4) 0.072(16) Uiso 1 1 d . . .
C26 C 1.0867(6) 0.1549(5) 0.0541(5) 0.0777(19) Uani 1 1 d . . .
H26A H 1.099(4) 0.120(4) 0.091(4) 0.084(18) Uiso 1 1 d . . .
C27 C 1.0993(5) 0.1305(5) -0.0397(5) 0.0760(17) Uani 1 1 d . . .
C28 C 1.0625(6) 0.1750(5) -0.0922(5) 0.0715(18) Uani 1 1 d . . .
H28A H 1.072(5) 0.165(5) -0.146(5) 0.10(2) Uiso 1 1 d . . .
C29 C 1.0138(5) 0.2421(5) -0.0523(4) 0.0554(13) Uani 1 1 d . . .
H29A H 0.995(4) 0.272(3) -0.087(3) 0.045(13) Uiso 1 1 d . . .
C30 C 1.0015(4) 0.2666(4) 0.0423(3) 0.0443(11) Uani 1 1 d . . .
C31 C 0.9480(4) 0.3391(4) 0.0838(3) 0.0454(11) Uani 1 1 d . . .
C32 C 1.1519(6) 0.0552(6) -0.0858(6) 0.127(3) Uani 1 1 d . . .
H32A H 1.1540 0.0479 -0.1516 0.190 Uiso 1 1 calc R . .
H32B H 1.1065 -0.0163 -0.0962 0.190 Uiso 1 1 calc R . .
H32C H 1.2282 0.0867 -0.0384 0.190 Uiso 1 1 calc R . .
C33 C 1.1013(6) 0.8602(6) 0.3627(6) 0.089(2) Uani 1 1 d . . .
H33A H 1.124(4) 0.838(3) 0.304(3) 0.037(13) Uiso 1 1 d . . .
C34 C 1.1532(8) 0.9684(6) 0.4472(8) 0.129(4) Uani 1 1 d . . .
H34A H 1.2034 1.0255 0.4420 0.155 Uiso 1 1 calc R . .
C35 C 1.1314(9) 0.9916(7) 0.5369(8) 0.133(5) Uani 1 1 d . . .
C36 C 1.0589(10) 0.9076(9) 0.5428(6) 0.119(4) Uani 1 1 d . . .
H36A H 1.040(4) 0.917(4) 0.596(4) 0.058(17) Uiso 1 1 d . . .
C37 C 1.0066(6) 0.7984(5) 0.4603(4) 0.0822(19) Uani 1 1 d . . .
H37A H 0.9572 0.7419 0.4667 0.099 Uiso 1 1 calc R . .
C38 C 1.0285(5) 0.7750(4) 0.3698(4) 0.0610(15) Uani 1 1 d . . .
C39 C 0.9723(4) 0.6605(4) 0.2795(4) 0.0489(12) Uani 1 1 d . . .
C40 C 1.1888(8) 1.1101(6) 0.6307(6) 0.187(5) Uani 1 1 d . . .
H40A H 1.1631 1.1103 0.6865 0.280 Uiso 1 1 calc R . .
H40B H 1.1691 1.1558 0.6101 0.280 Uiso 1 1 calc R . .
H40C H 1.2703 1.1385 0.6542 0.280 Uiso 1 1 calc R . .
C41 C 0.8166(4) 0.4215(4) -0.1367(4) 0.0567(13) Uani 1 1 d . . .
H41A H 0.8555 0.3827 -0.1308 0.068 Uiso 1 1 calc R . .
C42 C 0.7992(5) 0.4326(6) -0.2245(5) 0.0709(18) Uani 1 1 d . . .
H42A H 0.825(4) 0.403(4) -0.270(4) 0.063(18) Uiso 1 1 d . . .
C43 C 0.7451(5) 0.4882(6) -0.2347(5) 0.081(2) Uani 1 1 d . . .
H43A H 0.733(4) 0.499(4) -0.292(4) 0.079(17) Uiso 1 1 d . . .
C44 C 0.7021(4) 0.5335(5) -0.1590(5) 0.0665(16) Uani 1 1 d . . .
C45 C 0.6405(5) 0.5940(6) -0.1617(6) 0.089(2) Uani 1 1 d . . .
H45A H 0.6288 0.6057 -0.2175 0.107 Uiso 1 1 calc R . .
C46 C 0.5998(5) 0.6337(5) -0.0891(6) 0.090(2) Uani 1 1 d . . .
H46A H 0.5585 0.6703 -0.0957 0.108 Uiso 1 1 calc R . .
C47 C 0.6186(5) 0.6211(4) 0.0000(5) 0.0687(16) Uani 1 1 d . . .
C48 C 0.5777(6) 0.6600(5) 0.0803(7) 0.083(2) Uani 1 1 d . . .
H48A H 0.536(5) 0.681(4) 0.065(4) 0.07(2) Uiso 1 1 d . . .
C49 C 0.6001(5) 0.6476(5) 0.1628(5) 0.0793(18) Uani 1 1 d . . .
H49A H 0.5720 0.6731 0.2154 0.095 Uiso 1 1 calc R . .
C50 C 0.6660(5) 0.5959(5) 0.1677(5) 0.0688(16) Uani 1 1 d . . .
H50A H 0.671(4) 0.577(4) 0.216(3) 0.042(14) Uiso 1 1 d . . .
C51 C 0.6821(4) 0.5673(4) 0.0105(4) 0.0510(12) Uani 1 1 d . . .
C52 C 0.7226(4) 0.5202(4) -0.0708(4) 0.0492(12) Uani 1 1 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'
Cd Cd -0.8075 1.2024 '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
_geom_angle_publ_flag
O3 Nd1 O8 160.12(11) . . ?
O3 Nd1 O2 77.45(12) . . ?
O8 Nd1 O2 103.80(12) . . ?
O3 Nd1 O5 83.78(12) . . ?
O8 Nd1 O5 77.02(12) . . ?
O2 Nd1 O5 79.72(12) . . ?
O3 Nd1 O1 81.10(11) . . ?
O8 Nd1 O1 111.75(11) . . ?
O2 Nd1 O1 127.74(10) . . ?
O5 Nd1 O1 143.94(12) . . ?
O3 Nd1 O4 126.21(11) . . ?
O8 Nd1 O4 72.83(11) . . ?
O2 Nd1 O4 78.69(12) . . ?
O5 Nd1 O4 137.12(12) . . ?
O1 Nd1 O4 76.80(12) . . ?
O3 Nd1 O9 87.10(11) . . ?
O8 Nd1 O9 81.92(11) . . ?
O2 Nd1 O9 148.41(12) . . ?
O5 Nd1 O9 71.26(12) . . ?
O1 Nd1 O9 75.43(10) . . ?
O4 Nd1 O9 131.72(11) . . ?
O7 Cd2 O6 97.97(14) . . ?
O7 Cd2 N1 85.05(12) . . ?
O6 Cd2 N1 106.77(13) . . ?
O7 Cd2 O10 99.51(13) . . ?
O6 Cd2 O10 153.10(13) . . ?
N1 Cd2 O10 94.99(12) . . ?
O7 Cd2 N2 154.88(13) . . ?
O6 Cd2 N2 87.14(13) . . ?
N1 Cd2 N2 69.97(14) . . ?
O10 Cd2 N2 85.65(13) . . ?
O7 Cd2 O9 111.29(11) . . ?
O6 Cd2 O9 101.31(12) . . ?
N1 Cd2 O9 145.14(12) . . ?
O10 Cd2 O9 53.11(11) . . ?
N2 Cd2 O9 91.56(12) . . ?
C41 N1 C52 118.9(4) . . ?
C41 N1 Cd2 123.8(3) . . ?
C52 N1 Cd2 117.1(3) . . ?
C50 N2 C51 117.8(5) . . ?
C50 N2 Cd2 126.3(4) . . ?
C51 N2 Cd2 115.9(3) . . ?
C7 O1 Nd1 134.0(3) . . ?
C7 O2 Nd1 140.5(3) 2_766 . ?
C15 O3 Nd1 179.2(3) . . ?
C15 O4 Nd1 110.6(3) 2_766 . ?
C23 O5 Nd1 150.9(3) . . ?
C23 O6 Cd2 117.3(3) . . ?
C31 O7 Cd2 113.0(3) . . ?
C31 O8 Nd1 168.0(3) . . ?
C39 O9 Nd1 138.3(3) . . ?
C39 O9 Cd2 88.3(3) . . ?
Nd1 O9 Cd2 104.52(12) . . ?
C39 O10 Cd2 96.1(3) . . ?
C2 C1 C6 120.4(6) . . ?
C1 C2 C3 122.7(6) . . ?
C4 C3 C2 116.9(6) . . ?
C4 C3 C8 120.9(6) . . ?
C2 C3 C8 122.2(6) . . ?
C3 C4 C5 121.3(6) . . ?
C6 C5 C4 120.8(6) . . ?
C5 C6 C1 117.8(5) . . ?
C5 C6 C7 120.6(5) . . ?
C1 C6 C7 121.5(5) . . ?
O1 C7 O2 124.0(5) . 2_766 ?
O1 C7 C6 119.5(4) . . ?
O2 C7 C6 116.4(4) 2_766 . ?
C10 C9 C14 121.8(6) . . ?
C9 C10 C11 119.7(7) . . ?
C12 C11 C10 118.3(6) . . ?
C12 C11 C16 121.0(7) . . ?
C10 C11 C16 120.7(7) . . ?
C11 C12 C13 121.6(6) . . ?
C14 C13 C12 120.3(6) . . ?
C13 C14 C9 118.2(5) . . ?
C13 C14 C15 121.5(5) . . ?
C9 C14 C15 120.3(5) . . ?
O4 C15 O3 122.7(4) 2_766 . ?
O4 C15 C14 118.6(4) 2_766 . ?
O3 C15 C14 118.7(4) . . ?
C22 C17 C18 121.5(6) . . ?
C19 C18 C17 121.0(7) . . ?
C18 C19 C20 117.6(7) . . ?
C18 C19 C24 122.8(9) . . ?
C20 C19 C24 119.6(9) . . ?
C19 C20 C21 123.6(7) . . ?
C20 C21 C22 117.9(7) . . ?
C17 C22 C21 118.4(6) . . ?
C17 C22 C23 121.0(5) . . ?
C21 C22 C23 120.6(5) . . ?
O5 C23 O6 125.8(5) . . ?
O5 C23 C22 117.1(5) . . ?
O6 C23 C22 117.2(4) . . ?
C30 C25 C26 119.1(6) . . ?
C27 C26 C25 121.9(6) . . ?
C26 C27 C28 117.9(6) . . ?
C26 C27 C32 121.4(6) . . ?
C28 C27 C32 120.7(6) . . ?
C27 C28 C29 121.5(6) . . ?
C30 C29 C28 120.4(5) . . ?
C29 C30 C25 119.2(5) . . ?
C29 C30 C31 119.4(4) . . ?
C25 C30 C31 121.3(4) . . ?
O7 C31 O8 122.4(5) . . ?
O7 C31 C30 117.9(4) . . ?
O8 C31 C30 119.6(4) . . ?
C38 C33 C34 120.2(8) . . ?
C35 C34 C33 120.9(10) . . ?
C36 C35 C34 118.5(8) . . ?
C36 C35 C40 120.2(12) . . ?
C34 C35 C40 121.4(12) . . ?
C35 C36 C37 122.1(9) . . ?
C38 C37 C36 119.4(8) . . ?
C33 C38 C37 118.9(6) . . ?
C33 C38 C39 120.1(6) . . ?
C37 C38 C39 121.0(5) . . ?
O10 C39 O9 120.2(4) . . ?
O10 C39 C38 120.4(5) . . ?
O9 C39 C38 119.3(5) . . ?
N1 C41 C42 121.8(6) . . ?
C43 C42 C41 120.6(7) . . ?
C42 C43 C44 119.9(6) . . ?
C43 C44 C52 117.2(5) . . ?
C43 C44 C45 125.4(6) . . ?
C52 C44 C45 117.4(6) . . ?
C46 C45 C44 123.2(6) . . ?
C45 C46 C47 120.6(6) . . ?
C48 C47 C51 116.1(6) . . ?
C48 C47 C46 124.3(6) . . ?
C51 C47 C46 119.6(6) . . ?
C49 C48 C47 121.5(6) . . ?
C48 C49 C50 118.2(7) . . ?
N2 C50 C49 123.8(6) . . ?
N2 C51 C47 122.6(5) . . ?
N2 C51 C52 117.7(4) . . ?
C47 C51 C52 119.7(5) . . ?
N1 C52 C44 121.5(5) . . ?
N1 C52 C51 119.1(4) . . ?
C44 C52 C51 119.4(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nd1 O3 2.338(3) . ?
Nd1 O8 2.353(3) . ?
Nd1 O2 2.362(3) . ?
Nd1 O5 2.406(3) . ?
Nd1 O1 2.437(3) . ?
Nd1 O4 2.448(3) . ?
Nd1 O9 2.467(3) . ?
Cd2 O7 2.213(3) . ?
Cd2 O6 2.225(3) . ?
Cd2 N1 2.348(4) . ?
Cd2 O10 2.354(3) . ?
Cd2 N2 2.400(4) . ?
Cd2 O9 2.511(3) . ?
N1 C41 1.322(6) . ?
N1 C52 1.348(6) . ?
N2 C50 1.320(7) . ?
N2 C51 1.353(6) . ?
O1 C7 1.259(5) . ?
O2 C7 1.270(5) 2_766 ?
O3 C15 1.257(5) . ?
O4 C15 1.250(5) 2_766 ?
O5 C23 1.243(5) . ?
O6 C23 1.256(6) . ?
O7 C31 1.248(5) . ?
O8 C31 1.257(5) . ?
O9 C39 1.268(5) . ?
O10 C39 1.245(5) . ?
C1 C2 1.364(7) . ?
C1 C6 1.381(7) . ?
C2 C3 1.377(8) . ?
C3 C4 1.371(8) . ?
C3 C8 1.507(7) . ?
C4 C5 1.389(8) . ?
C5 C6 1.379(7) . ?
C6 C7 1.485(6) . ?
C7 O2 1.270(5) 2_766 ?
C9 C10 1.370(9) . ?
C9 C14 1.376(8) . ?
C10 C11 1.390(9) . ?
C11 C12 1.364(9) . ?
C11 C16 1.530(9) . ?
C12 C13 1.379(9) . ?
C13 C14 1.370(7) . ?
C14 C15 1.498(7) . ?
C15 O4 1.250(5) 2_766 ?
C17 C22 1.376(7) . ?
C17 C18 1.381(8) . ?
C18 C19 1.355(10) . ?
C19 C20 1.368(11) . ?
C19 C24 1.530(9) . ?
C20 C21 1.388(10) . ?
C21 C22 1.395(7) . ?
C22 C23 1.496(7) . ?
C25 C30 1.377(6) . ?
C25 C26 1.396(8) . ?
C26 C27 1.362(8) . ?
C27 C28 1.369(8) . ?
C27 C32 1.528(8) . ?
C28 C29 1.378(8) . ?
C29 C30 1.372(6) . ?
C30 C31 1.493(6) . ?
C33 C38 1.371(8) . ?
C33 C34 1.395(10) . ?
C34 C35 1.360(14) . ?
C35 C36 1.345(14) . ?
C35 C40 1.534(10) . ?
C36 C37 1.394(10) . ?
C37 C38 1.371(8) . ?
C38 C39 1.479(7) . ?
C41 C42 1.398(7) . ?
C42 C43 1.324(9) . ?
C43 C44 1.395(9) . ?
C44 C52 1.425(6) . ?
C44 C45 1.439(8) . ?
C45 C46 1.316(9) . ?
C46 C47 1.430(8) . ?
C47 C48 1.401(10) . ?
C47 C51 1.401(7) . ?
C48 C49 1.338(9) . ?
C49 C50 1.381(8) . ?
C51 C52 1.437(7) . ?
