#------------------------------------------------------------------------------
#$Date: 2021-04-29 12:40:13 +0300 (Thu, 29 Apr 2021) $
#$Revision: 264697 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/22/1562285.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_1562285
loop_
_publ_author_name
'Song, Xue-Qin'
'Lei, Yao-Kun'
'Wang, Xiao-Run'
'Zhao, Meng-Meng'
'Peng, Yun-Qiao'
'Cheng, Guo-Quan'
_publ_section_title
;
 Lanthanide coordination polymers: Synthesis, diverse structure and
 luminescence properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              202
_journal_page_last               212
_journal_paper_doi               10.1016/j.jssc.2014.06.025
_journal_volume                  218
_journal_year                    2014
_chemical_formula_sum            'C38 H42 N5 Nd O17'
_chemical_formula_weight         985.01
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 105.493(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.568(2)
_cell_length_b                   20.850(4)
_cell_length_c                   18.383(3)
_cell_measurement_reflns_used    6753
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.308
_cell_measurement_theta_min      2.267
_cell_volume                     4272.7(13)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22059
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.293
_exptl_absorpt_correction_T_max  0.7820
_exptl_absorpt_correction_T_min  0.6393
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2004
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.511
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7508
_refine_ls_number_restraints     109
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0236P)²+3.2180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0800
_reflns_number_gt                5099
_reflns_number_total             7508
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-218-202.cif
_cod_data_source_block           1
_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        4272.8(13)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1562285
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 1.058676(18) 0.246200(11) 0.860803(12) 0.03515(8) Uani 1 1 d . . .
N1 N 0.8520(3) 0.39222(16) 0.94793(19) 0.0460(9) Uani 1 1 d . . .
H1 H 0.8038 0.4087 0.9712 0.055 Uiso 1 1 calc R . .
N2 N 0.8041(3) 0.10305(17) 0.9075(2) 0.0509(10) Uani 1 1 d . . .
H2 H 0.7687 0.0777 0.9315 0.061 Uiso 1 1 calc R . .
N3 N 1.1430(4) 0.3415(2) 0.7695(2) 0.0601(11) Uani 1 1 d . . .
N4 N 1.2790(4) 0.26950(19) 0.9846(2) 0.0548(10) Uani 1 1 d . . .
N5 N 1.1068(4) 0.12886(19) 0.7849(2) 0.0531(10) Uani 1 1 d . . .
O1 O 0.7170(2) 0.37091(14) 1.04266(16) 0.0473(8) Uani 1 1 d . . .
O2 O 0.9679(3) 0.31063(14) 0.93504(17) 0.0516(8) Uani 1 1 d . . .
O3 O 0.7221(3) 0.50837(18) 0.8605(2) 0.0780(11) Uani 1 1 d DU . .
O4 O 0.8057(2) 0.05061(14) 1.03786(16) 0.0505(8) Uani 1 1 d . . .
O5 O 0.9656(3) 0.16060(14) 0.90847(17) 0.0515(8) Uani 1 1 d . . .
O6 O 0.6146(3) 0.03180(19) 0.8001(2) 0.0911(13) Uani 1 1 d DU . .
O7 O 1.1644(4) 0.28280(19) 0.7662(2) 0.0919(14) Uani 1 1 d . . .
O8 O 1.0687(3) 0.35610(15) 0.8050(2) 0.0671(10) Uani 1 1 d . . .
O9 O 1.1930(4) 0.38183(18) 0.7410(2) 0.0886(13) Uani 1 1 d . . .
O10 O 1.2534(4) 0.3008(2) 0.9252(2) 0.1121(18) Uani 1 1 d . . .
O11 O 1.2035(3) 0.22888(17) 0.98899(19) 0.0721(10) Uani 1 1 d . . .
O12 O 1.3702(3) 0.27844(19) 1.0345(2) 0.0813(12) Uani 1 1 d . . .
O13 O 1.1799(3) 0.14934(16) 0.8441(2) 0.0602(9) Uani 1 1 d . . .
O14 O 1.0182(3) 0.16425(15) 0.75560(18) 0.0605(9) Uani 1 1 d . . .
O15 O 1.1192(3) 0.07670(16) 0.7570(2) 0.0783(11) Uani 1 1 d . . .
O16 O 0.8554(3) 0.26695(15) 0.77788(17) 0.0558(8) Uani 1 1 d U . .
H16 H 0.8069 0.2858 0.7955 0.084 Uiso 1 1 d R . .
O17 O 0.6609(4) 0.3068(3) 0.8207(3) 0.138(2) Uani 1 1 d DU . .
C1 C 0.6297(4) 0.3922(2) 1.0809(2) 0.0485(12) Uani 1 1 d . . .
H1A H 0.6695 0.4041 1.1325 0.058 Uiso 1 1 calc R . .
H1B H 0.5735 0.3579 1.0819 0.058 Uiso 1 1 calc R . .
C2 C 0.5644(4) 0.4489(2) 1.0389(2) 0.0397(10) Uani 1 1 d . . .
C3 C 0.6202(4) 0.5080(2) 1.0407(2) 0.0420(11) Uani 1 1 d . . .
C4 C 0.5540(4) 0.5581(2) 1.0010(2) 0.0428(11) Uani 1 1 d . . .
H4 H 0.5906 0.5978 1.0011 0.051 Uiso 1 1 calc R . .
C5 C 0.7501(4) 0.5202(2) 1.0835(3) 0.0716(16) Uani 1 1 d . . .
H5A H 0.8002 0.4877 1.0707 0.107 Uiso 1 1 calc R . .
H5B H 0.7578 0.5189 1.1368 0.107 Uiso 1 1 calc R . .
H5C H 0.7743 0.5616 1.0701 0.107 Uiso 1 1 calc R . .
C6 C 0.9009(4) 0.3358(2) 0.9699(2) 0.0394(10) Uani 1 1 d . . .
C7 C 0.8790(3) 0.30367(18) 1.0374(2) 0.0350(10) Uani 1 1 d . . .
C8 C 0.7897(4) 0.32013(19) 1.0726(2) 0.0385(10) Uani 1 1 d . . .
C9 C 0.7766(4) 0.2854(2) 1.1338(3) 0.0508(12) Uani 1 1 d . . .
H9 H 0.7161 0.2959 1.1563 0.061 Uiso 1 1 calc R . .
C10 C 0.8530(4) 0.2352(2) 1.1617(3) 0.0536(13) Uani 1 1 d . . .
H10 H 0.8434 0.2121 1.2029 0.064 Uiso 1 1 calc R . .
C11 C 0.9432(4) 0.2189(2) 1.1293(2) 0.0499(12) Uani 1 1 d . . .
H11 H 0.9956 0.1856 1.1490 0.060 Uiso 1 1 calc R . .
C12 C 0.9547(3) 0.2529(2) 1.0670(2) 0.0417(10) Uani 1 1 d . . .
H12 H 1.0147 0.2415 1.0444 0.050 Uiso 1 1 calc R . .
C13 C 0.8774(5) 0.4276(2) 0.8849(3) 0.0598(14) Uani 1 1 d U . .
H13A H 0.8355 0.4074 0.8377 0.072 Uiso 1 1 calc R . .
H13B H 0.9627 0.4257 0.8891 0.072 Uiso 1 1 calc R . .
C14 C 0.8399(4) 0.4952(2) 0.8839(3) 0.0520(12) Uani 1 1 d DU . .
C15 C 0.9000(5) 0.5483(3) 0.9007(4) 0.0885(19) Uani 1 1 d DU . .
H15 H 0.9830 0.5518 0.9180 0.106 Uiso 1 1 calc R . .
C16 C 0.8190(7) 0.5990(3) 0.8882(4) 0.098(2) Uani 1 1 d DU . .
H16A H 0.8376 0.6424 0.8956 0.117 Uiso 1 1 calc R . .
C17 C 0.7125(6) 0.5745(3) 0.8644(3) 0.0829(18) Uani 1 1 d DU . .
H17 H 0.6411 0.5976 0.8519 0.099 Uiso 1 1 calc R . .
C18 C 0.7440(4) 0.0201(2) 1.0872(3) 0.0542(13) Uani 1 1 d . . .
H18A H 0.7481 0.0467 1.1311 0.065 Uiso 1 1 calc R . .
H18B H 0.7800 -0.0212 1.1040 0.065 Uiso 1 1 calc R . .
C19 C 0.6166(4) 0.0117(2) 1.0423(2) 0.0485(12) Uani 1 1 d . . .
C20 C 0.5769(4) -0.0499(2) 1.0204(3) 0.0547(13) Uani 1 1 d . . .
H20 H 0.6303 -0.0838 1.0348 0.066 Uiso 1 1 calc R . .
C21 C 0.4607(4) -0.0631(2) 0.9779(3) 0.0531(13) Uani 1 1 d . . .
C22 C 0.4236(5) -0.1319(2) 0.9563(4) 0.0870(18) Uani 1 1 d . . .
H22A H 0.3606 -0.1441 0.9785 0.130 Uiso 1 1 calc R . .
H22B H 0.4913 -0.1597 0.9744 0.130 Uiso 1 1 calc R . .
H22C H 0.3956 -0.1353 0.9024 0.130 Uiso 1 1 calc R . .
C23 C 0.9149(4) 0.12009(19) 0.9398(2) 0.0381(10) Uani 1 1 d . . .
C24 C 0.9811(3) 0.09071(18) 1.0124(2) 0.0367(10) Uani 1 1 d . . .
C25 C 0.9272(4) 0.05781(19) 1.0618(2) 0.0390(10) Uani 1 1 d . . .
C26 C 0.9963(4) 0.0347(2) 1.1300(2) 0.0485(11) Uani 1 1 d . . .
H26 H 0.9601 0.0145 1.1633 0.058 Uiso 1 1 calc R . .
C27 C 1.1186(4) 0.0419(2) 1.1484(3) 0.0546(12) Uani 1 1 d . . .
H27 H 1.1649 0.0259 1.1942 0.065 Uiso 1 1 calc R . .
C28 C 1.1735(4) 0.0720(2) 1.1008(3) 0.0570(13) Uani 1 1 d . . .
H28 H 1.2566 0.0761 1.1138 0.068 Uiso 1 1 calc R . .
C29 C 1.1052(4) 0.0962(2) 1.0334(3) 0.0483(12) Uani 1 1 d . . .
H29 H 1.1430 0.1168 1.0012 0.058 Uiso 1 1 calc R . .
C30 C 0.7377(4) 0.1251(2) 0.8323(3) 0.0644(14) Uani 1 1 d U . .
H30A H 0.7824 0.1143 0.7962 0.077 Uiso 1 1 calc R . .
H30B H 0.7295 0.1713 0.8328 0.077 Uiso 1 1 calc R . .
C31 C 0.6184(4) 0.0958(2) 0.8084(3) 0.0570(13) Uani 1 1 d DU . .
C32 C 0.5077(6) 0.1167(3) 0.7922(4) 0.119(3) Uani 1 1 d DU . .
H32 H 0.4845 0.1593 0.7928 0.142 Uiso 1 1 calc R . .
C33 C 0.4303(6) 0.0644(4) 0.7740(4) 0.106(2) Uani 1 1 d DU . .
H33 H 0.3469 0.0655 0.7612 0.127 Uiso 1 1 calc R . .
C34 C 0.4961(6) 0.0145(4) 0.7783(4) 0.102(2) Uani 1 1 d DU . .
H34 H 0.4678 -0.0272 0.7681 0.122 Uiso 1 1 calc R . .
C35 C 0.8185(5) 0.2715(3) 0.6976(3) 0.094(2) Uani 1 1 d U . .
H35A H 0.8231 0.3154 0.6828 0.141 Uiso 1 1 calc R . .
H35B H 0.7373 0.2566 0.6795 0.141 Uiso 1 1 calc R . .
H35C H 0.8701 0.2457 0.6765 0.141 Uiso 1 1 calc R . .
C36 C 0.5788(5) 0.3200(3) 0.8457(3) 0.0783(18) Uani 1 1 d DU . .
C37 C 0.5136(6) 0.3807(4) 0.8249(4) 0.111(2) Uani 1 1 d DU . .
H37A H 0.5378 0.4003 0.7840 0.166 Uiso 1 1 calc R . .
H37B H 0.5314 0.4090 0.8676 0.166 Uiso 1 1 calc R . .
H37C H 0.4289 0.3723 0.8094 0.166 Uiso 1 1 calc R . .
C38 C 0.5394(7) 0.2774(4) 0.8980(4) 0.136(3) Uani 1 1 d DU . .
H38A H 0.6028 0.2481 0.9206 0.204 Uiso 1 1 calc R . .
H38B H 0.4700 0.2538 0.8709 0.204 Uiso 1 1 calc R . .
H38C H 0.5196 0.3026 0.9367 0.204 Uiso 1 1 calc R . .
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'
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
O2 Nd1 O5 84.16(10) . .
O2 Nd1 O16 76.10(10) . .
O5 Nd1 O16 84.75(10) . .
O2 Nd1 O7 127.36(12) . .
O5 Nd1 O7 147.44(11) . .
O16 Nd1 O7 94.53(13) . .
O2 Nd1 O10 87.19(15) . .
O5 Nd1 O10 127.18(11) . .
O16 Nd1 O10 142.52(13) . .
O7 Nd1 O10 69.29(15) . .
O2 Nd1 O13 151.19(11) . .
O5 Nd1 O13 76.40(11) . .
O16 Nd1 O13 122.15(11) . .
O7 Nd1 O13 76.60(12) . .
O10 Nd1 O13 87.86(14) . .
O2 Nd1 O11 80.09(12) . .
O5 Nd1 O11 78.53(10) . .
O16 Nd1 O11 152.10(11) . .
O7 Nd1 O11 111.56(13) . .
O10 Nd1 O11 48.66(11) . .
O13 Nd1 O11 75.40(12) . .
O2 Nd1 O8 78.09(10) . .
O5 Nd1 O8 155.23(10) . .
O16 Nd1 O8 74.37(11) . .
O7 Nd1 O8 49.89(11) . .
O10 Nd1 O8 69.41(12) . .
O13 Nd1 O8 126.08(11) . .
O11 Nd1 O8 114.68(12) . .
O2 Nd1 O14 144.02(11) . .
O5 Nd1 O14 76.36(11) . .
O16 Nd1 O14 72.27(10) . .
O7 Nd1 O14 72.49(12) . .
O10 Nd1 O14 128.64(14) . .
O13 Nd1 O14 50.33(11) . .
O11 Nd1 O14 123.93(11) . .
O8 Nd1 O14 108.76(11) . .
C6 N1 C13 122.0(3) . .
C6 N1 H1 119.0 . .
C13 N1 H1 119.0 . .
C23 N2 C30 123.2(4) . .
C23 N2 H2 118.4 . .
C30 N2 H2 118.4 . .
O9 N3 O8 122.1(4) . .
O9 N3 O7 122.1(4) . .
O8 N3 O7 115.8(4) . .
O12 N4 O11 122.9(4) . .
O12 N4 O10 122.7(4) . .
O11 N4 O10 114.4(4) . .
O15 N5 O14 120.9(5) . .
O15 N5 O13 122.3(4) . .
O14 N5 O13 116.8(4) . .
C8 O1 C1 118.3(3) . .
C6 O2 Nd1 167.0(3) . .
C14 O3 C17 105.9(4) . .
C25 O4 C18 119.1(3) . .
C23 O5 Nd1 172.9(3) . .
C31 O6 C34 107.2(5) . .
N3 O7 Nd1 97.2(3) . .
N3 O8 Nd1 96.0(3) . .
N4 O10 Nd1 98.6(3) . .
N4 O11 Nd1 98.3(3) . .
N5 O13 Nd1 96.3(2) . .
N5 O14 Nd1 96.1(3) . .
C35 O16 Nd1 128.5(3) . .
C35 O16 H16 109.2 . .
Nd1 O16 H16 118.6 . .
O1 C1 C2 108.2(3) . .
O1 C1 H1A 110.1 . .
C2 C1 H1A 110.1 . .
O1 C1 H1B 110.1 . .
C2 C1 H1B 110.1 . .
H1A C1 H1B 108.4 . .
C4 C2 C3 119.8(4) 3_667 .
C4 C2 C1 118.8(4) 3_667 .
C3 C2 C1 121.4(4) . .
C4 C3 C2 118.0(4) . .
C4 C3 C5 118.6(4) . .
C2 C3 C5 123.4(4) . .
C2 C4 C3 122.2(4) 3_667 .
C2 C4 H4 118.9 3_667 .
C3 C4 H4 118.9 . .
C3 C5 H5A 109.5 . .
C3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O2 C6 N1 119.5(4) . .
O2 C6 C7 120.4(4) . .
N1 C6 C7 120.1(4) . .
C12 C7 C8 118.2(4) . .
C12 C7 C6 116.1(3) . .
C8 C7 C6 125.8(4) . .
O1 C8 C9 122.9(4) . .
O1 C8 C7 117.0(3) . .
C9 C8 C7 120.2(4) . .
C10 C9 C8 120.2(4) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C11 C10 C9 120.8(4) . .
C11 C10 H10 119.6 . .
C9 C10 H10 119.6 . .
C10 C11 C12 118.9(4) . .
C10 C11 H11 120.5 . .
C12 C11 H11 120.5 . .
C11 C12 C7 121.7(4) . .
C11 C12 H12 119.2 . .
C7 C12 H12 119.2 . .
N1 C13 C14 111.7(4) . .
N1 C13 H13A 109.3 . .
C14 C13 H13A 109.3 . .
N1 C13 H13B 109.3 . .
C14 C13 H13B 109.3 . .
H13A C13 H13B 107.9 . .
C15 C14 O3 109.6(4) . .
C15 C14 C13 132.4(5) . .
O3 C14 C13 118.0(5) . .
C14 C15 C16 108.3(5) . .
C14 C15 H15 125.8 . .
C16 C15 H15 125.8 . .
C17 C16 C15 107.0(6) . .
C17 C16 H16A 126.5 . .
C15 C16 H16A 126.5 . .
C16 C17 O3 109.1(5) . .
C16 C17 H17 125.4 . .
O3 C17 H17 125.4 . .
O4 C18 C19 106.5(3) . .
O4 C18 H18A 110.4 . .
C19 C18 H18A 110.4 . .
O4 C18 H18B 110.4 . .
C19 C18 H18B 110.4 . .
H18A C18 H18B 108.6 . .
C21 C19 C20 120.0(4) 3_657 .
C21 C19 C18 122.0(5) 3_657 .
C20 C19 C18 118.0(4) . .
C19 C20 C21 122.9(4) . .
C19 C20 H20 118.6 . .
C21 C20 H20 118.6 . .
C19 C21 C20 117.2(4) 3_657 .
C19 C21 C22 123.0(5) 3_657 .
C20 C21 C22 119.8(5) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O5 C23 N2 119.7(4) . .
O5 C23 C24 120.0(4) . .
N2 C23 C24 120.3(4) . .
C29 C24 C25 117.6(4) . .
C29 C24 C23 117.6(4) . .
C25 C24 C23 124.7(4) . .
O4 C25 C26 123.4(4) . .
O4 C25 C24 116.2(4) . .
C26 C25 C24 120.4(4) . .
C27 C26 C25 119.7(4) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
C28 C27 C26 121.2(4) . .
C28 C27 H27 119.4 . .
C26 C27 H27 119.4 . .
C27 C28 C29 119.5(4) . .
C27 C28 H28 120.2 . .
C29 C28 H28 120.2 . .
C28 C29 C24 121.5(4) . .
C28 C29 H29 119.2 . .
C24 C29 H29 119.2 . .
N2 C30 C31 111.5(4) . .
N2 C30 H30A 109.3 . .
C31 C30 H30A 109.3 . .
N2 C30 H30B 109.3 . .
C31 C30 H30B 109.3 . .
H30A C30 H30B 108.0 . .
C32 C31 O6 107.8(5) . .
C32 C31 C30 135.6(6) . .
O6 C31 C30 116.6(4) . .
C31 C32 C33 108.7(6) . .
C31 C32 H32 125.7 . .
C33 C32 H32 125.7 . .
C34 C33 C32 106.8(6) . .
C34 C33 H33 126.6 . .
C32 C33 H33 126.6 . .
C33 C34 O6 109.6(6) . .
C33 C34 H34 125.2 . .
O6 C34 H34 125.2 . .
O16 C35 H35A 109.5 . .
O16 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
O16 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O17 C36 C38 122.1(7) . .
O17 C36 C37 120.3(7) . .
C38 C36 C37 117.6(6) . .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C36 C38 H38A 109.5 . .
C36 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C36 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O2 2.352(3) .
Nd1 O5 2.370(3) .
Nd1 O16 2.475(3) .
Nd1 O7 2.498(3) .
Nd1 O10 2.519(4) .
Nd1 O13 2.524(3) .
Nd1 O11 2.526(3) .
Nd1 O8 2.526(3) .
Nd1 O14 2.529(3) .
N1 C6 1.321(5) .
N1 C13 1.469(5) .
N1 H1 0.8600 .
N2 C23 1.309(5) .
N2 C30 1.464(5) .
N2 H2 0.8600 .
N3 O9 1.216(5) .
N3 O8 1.247(5) .
N3 O7 1.254(5) .
N4 O12 1.214(5) .
N4 O11 1.235(5) .
N4 O10 1.238(5) .
N5 O15 1.227(5) .
N5 O14 1.261(4) .
N5 O13 1.261(5) .
O1 C8 1.372(4) .
O1 C1 1.446(4) .
O2 C6 1.247(4) .
O3 C14 1.343(5) .
O3 C17 1.387(6) .
O4 C25 1.364(5) .
O4 C18 1.443(4) .
O5 C23 1.253(4) .
O6 C31 1.342(5) .
O6 C34 1.370(6) .
O16 C35 1.426(6) .
O16 H16 0.8200 .
O17 C36 1.192(6) .
C1 C2 1.502(6) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C4 1.377(6) 3_667
C2 C3 1.387(6) .
C3 C4 1.383(6) .
C3 C5 1.520(6) .
C4 C2 1.377(6) 3_667
C4 H4 0.9300 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.490(5) .
C7 C12 1.389(5) .
C7 C8 1.399(5) .
C8 C9 1.381(5) .
C9 C10 1.376(6) .
C9 H9 0.9300 .
C10 C11 1.375(6) .
C10 H10 0.9300 .
C11 C12 1.383(6) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.473(6) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.300(6) .
C15 C16 1.391(7) .
C15 H15 0.9300 .
C16 C17 1.298(7) .
C16 H16A 0.9300 .
C17 H17 0.9300 .
C18 C19 1.494(6) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C21 1.381(6) 3_657
C19 C20 1.387(6) .
C20 C21 1.391(6) .
C20 H20 0.9300 .
C21 C19 1.381(6) 3_657
C21 C22 1.519(6) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.482(6) .
C24 C29 1.389(5) .
C24 C25 1.409(5) .
C25 C26 1.382(6) .
C26 C27 1.371(6) .
C26 H26 0.9300 .
C27 C28 1.365(6) .
C27 H27 0.9300 .
C28 C29 1.374(6) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.465(6) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.309(7) .
C32 C33 1.394(8) .
C32 H32 0.9300 .
C33 C34 1.279(8) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 C38 1.467(8) .
C36 C37 1.471(8) .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
