#------------------------------------------------------------------------------
#$Date: 2017-01-09 05:16:46 +0200 (Mon, 09 Jan 2017) $
#$Revision: 190114 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/10/7041036.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_7041036
loop_
_publ_author_name
'Wang, Jun'
'Dou, Wei'
'Kirillov, Alexander M.'
'Liu, Weisheng'
'Xu, Cailing'
'Fang, Ran'
'Yang, Lizi'
_publ_section_title
;
 Hybrid materials based on novel 2D lanthanide coordination polymers
 covalently bonded to amine-modified SBA-15 and MCM-41: assembly,
 characterization, structural features, thermal and luminescence
 properties.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18610
_journal_page_last               18621
_journal_paper_doi               10.1039/c6dt03558b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C32 H25 N0 Nd O14'
_chemical_formula_weight         777.76
_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
_audit_update_record
;
2016-09-09 deposited with the CCDC.
2016-10-25 downloaded from the CCDC.
;
_cell_angle_alpha                97.388(2)
_cell_angle_beta                 90.531(2)
_cell_angle_gamma                114.214(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2650(5)
_cell_length_b                   10.4475(5)
_cell_length_c                   17.2106(9)
_cell_measurement_reflns_used    9990
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5031
_cell_measurement_theta_min      3.2823
_cell_volume                     1503.19(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  bruker-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  0.1179
_diffrn_reflns_av_sigmaI/netI    0.0620
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26341
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    1.801
_exptl_absorpt_correction_T_max  0.7259
_exptl_absorpt_correction_T_min  0.7035
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             778
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         4.430
_refine_diff_density_min         -1.307
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         5289
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0508
_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)+(0.0620P)²+11.5148P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1383
_reflns_number_gt                4805
_reflns_number_total             5289
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03558b2.cif
_cod_data_source_block           ww
_cod_depositor_comments
'Adding full bibliography for 7041036--7041037.cif.'
_cod_original_cell_volume        1503.19(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7041036
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
Nd1 Nd 1.70640(4) 0.95399(3) -0.001372(19) 0.01601(14) Uani 1 1 d .
O1W O 1.8375(6) 0.9960(6) -0.1306(3) 0.0359(12) Uani 1 1 d D
H1WA H 1.9424 1.0704 -0.1207 0.054 Uiso 1 1 d R
H1WC H 1.8436 0.9104 -0.1548 0.054 Uiso 1 1 d RD
O1 O 0.9547(6) 0.1522(5) 0.0213(3) 0.0355(12) Uani 1 1 d .
O2 O 1.2133(6) 0.2324(5) 0.0381(4) 0.0371(13) Uani 1 1 d .
O2W O 1.5077(6) 0.8079(6) -0.1160(3) 0.0380(13) Uani 1 1 d .
H2WA H 1.5560 0.8307 -0.1644 0.057 Uiso 1 1 d R
H2WB H 1.4166 0.8296 -0.1132 0.057 Uiso 1 1 d R
O3 O 1.5240(6) 0.7505(5) 0.0571(3) 0.0310(11) Uani 1 1 d .
O4 O 1.3907(6) 0.8775(5) 0.0384(3) 0.0250(10) Uani 1 1 d .
O5 O 0.8325(7) 0.5833(7) 0.2217(3) 0.0432(15) Uani 1 1 d .
O6 O 0.4272(11) 0.9083(11) 0.3668(6) 0.093(3) Uani 1 1 d .
O7 O 1.8466(6) 0.9529(5) 0.1271(3) 0.0296(11) Uani 1 1 d .
O8 O 1.6921(6) 1.0670(6) 0.1362(3) 0.0336(12) Uani 1 1 d .
O9 O 2.1544(11) 0.9421(10) 0.3481(5) 0.093(3) Uani 1 1 d .
H9 H 2.2230 0.9251 0.3692 0.140 Uiso 1 1 calc R
O10 O 2.1902(15) 1.0820(13) 0.4583(6) 0.125(5) Uani 1 1 d .
O11 O 1.8439(8) 1.3297(7) 0.5056(3) 0.0520(17) Uani 1 1 d .
O12 O 1.6079(13) 1.7194(10) 0.7392(5) 0.089(3) Uani 1 1 d .
C1 C 1.0878(8) 0.2485(7) 0.0417(4) 0.0226(14) Uani 1 1 d .
C2 C 1.1008(8) 0.3952(7) 0.0689(4) 0.0211(14) Uani 1 1 d .
C3 C 1.2438(8) 0.5111(7) 0.0631(4) 0.0207(14) Uani 1 1 d .
H3A H 1.3339 0.4973 0.0496 0.025 Uiso 1 1 calc R
C4 C 1.2499(8) 0.6465(7) 0.0775(4) 0.0214(14) Uani 1 1 d .
C5 C 1.1176(8) 0.6673(7) 0.1032(4) 0.0239(14) Uani 1 1 d .
H5A H 1.1230 0.7587 0.1138 0.029 Uiso 1 1 calc R
C6 C 0.9779(8) 0.5519(7) 0.1131(4) 0.0248(15) Uani 1 1 d .
C7 C 0.9682(8) 0.4160(7) 0.0942(4) 0.0231(14) Uani 1 1 d .
H7A H 0.8735 0.3383 0.0983 0.028 Uiso 1 1 calc R
C8 C 1.3962(8) 0.7665(7) 0.0581(4) 0.0218(14) Uani 1 1 d .
C9 C 0.8357(9) 0.5764(8) 0.1380(5) 0.0316(17) Uani 1 1 d .
H9A H 0.8415 0.6644 0.1227 0.038 Uiso 1 1 calc R
H9B H 0.7397 0.4995 0.1129 0.038 Uiso 1 1 calc R
C10 C 0.7395(9) 0.6395(9) 0.2587(4) 0.0326(17) Uani 1 1 d .
C11 C 0.7606(11) 0.6646(11) 0.3395(5) 0.047(2) Uani 1 1 d .
H11A H 0.8287 0.6357 0.3649 0.057 Uiso 1 1 calc R
C12 C 0.6822(11) 0.7317(11) 0.3825(5) 0.046(2) Uani 1 1 d .
H12A H 0.6965 0.7467 0.4370 0.055 Uiso 1 1 calc R
C13 C 0.5815(10) 0.7780(9) 0.3465(5) 0.0387(19) Uani 1 1 d .
C14 C 0.5565(10) 0.7473(10) 0.2653(5) 0.042(2) Uani 1 1 d .
H14A H 0.4857 0.7735 0.2401 0.050 Uiso 1 1 calc R
C15 C 0.6341(9) 0.6787(9) 0.2208(5) 0.0343(17) Uani 1 1 d .
H15A H 0.6162 0.6591 0.1665 0.041 Uiso 1 1 calc R
C16 C 0.5129(12) 0.8613(11) 0.3934(7) 0.057(3) Uani 1 1 d .
H16A H 0.5364 0.8797 0.4475 0.068 Uiso 1 1 calc R
C17 C 1.7917(8) 1.0293(7) 0.1668(4) 0.0243(14) Uani 1 1 d .
C18 C 1.8423(8) 1.0752(8) 0.2521(4) 0.0285(16) Uani 1 1 d .
C19 C 1.9471(9) 1.0289(8) 0.2856(4) 0.0306(16) Uani 1 1 d .
H19A H 1.9806 0.9677 0.2548 0.037 Uiso 1 1 calc R
C20 C 2.0011(10) 1.0722(9) 0.3628(5) 0.0366(18) Uani 1 1 d .
C21 C 1.9494(10) 1.1623(9) 0.4097(5) 0.0391(19) Uani 1 1 d .
H21A H 1.9861 1.1920 0.4623 0.047 Uiso 1 1 calc R
C22 C 1.8436(10) 1.2074(9) 0.3781(5) 0.0373(18) Uani 1 1 d .
C23 C 1.7927(9) 1.1665(8) 0.2992(5) 0.0342(17) Uani 1 1 d .
H23A H 1.7250 1.2001 0.2776 0.041 Uiso 1 1 calc R
C24 C 2.1242(12) 1.0333(11) 0.3949(5) 0.051(2) Uani 1 1 d .
C25 C 1.7842(12) 1.3054(11) 0.4260(5) 0.047(2) Uani 1 1 d .
H25A H 1.8197 1.3948 0.4054 0.057 Uiso 1 1 calc R
H25B H 1.6692 1.2630 0.4230 0.057 Uiso 1 1 calc R
C26 C 1.8017(10) 1.4132(10) 0.5594(5) 0.042(2) Uani 1 1 d .
C27 C 1.8528(11) 1.4213(11) 0.6367(5) 0.049(2) Uani 1 1 d .
H27A H 1.9125 1.3724 0.6484 0.059 Uiso 1 1 calc R
C28 C 1.8155(12) 1.5008(11) 0.6953(5) 0.052(2) Uani 1 1 d .
H28A H 1.8495 1.5051 0.7470 0.062 Uiso 1 1 calc R
C29 C 1.7267(10) 1.5760(10) 0.6790(5) 0.044(2) Uani 1 1 d .
C30 C 1.6768(11) 1.5686(10) 0.6026(6) 0.051(2) Uani 1 1 d .
H30A H 1.6175 1.6181 0.5913 0.061 Uiso 1 1 calc R
C31 C 1.7144(11) 1.4867(10) 0.5409(5) 0.045(2) Uani 1 1 d .
H31A H 1.6812 1.4823 0.4891 0.054 Uiso 1 1 calc R
C32 C 1.6847(16) 1.6527(12) 0.7452(7) 0.068(3) Uani 1 1 d .
H32A H 1.7199 1.6495 0.7954 0.082 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'
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
O1 Nd1 O2 101.15(18) 1_665 2_865
O1 Nd1 O4 84.71(17) 1_665 2_875
O2 Nd1 O4 149.61(19) 2_865 2_875
O1 Nd1 O3 142.91(19) 1_665 .
O2 Nd1 O3 73.98(18) 2_865 .
O4 Nd1 O3 118.39(16) 2_875 .
O1 Nd1 O8 77.28(19) 1_665 .
O2 Nd1 O8 127.83(19) 2_865 .
O4 Nd1 O8 82.56(16) 2_875 .
O3 Nd1 O8 77.62(18) . .
O1 Nd1 O2W 138.6(2) 1_665 .
O2 Nd1 O2W 78.23(18) 2_865 .
O4 Nd1 O2W 77.95(17) 2_875 .
O3 Nd1 O2W 77.50(19) . .
O8 Nd1 O2W 135.74(17) . .
O1 Nd1 O1W 70.58(19) 1_665 .
O2 Nd1 O1W 72.71(19) 2_865 .
O4 Nd1 O1W 81.51(17) 2_875 .
O3 Nd1 O1W 137.05(18) . .
O8 Nd1 O1W 145.17(18) . .
O2W Nd1 O1W 69.81(18) . .
O1 Nd1 O7 69.75(18) 1_665 .
O2 Nd1 O7 78.84(18) 2_865 .
O4 Nd1 O7 130.30(16) 2_875 .
O3 Nd1 O7 73.26(17) . .
O8 Nd1 O7 51.21(16) . .
O2W Nd1 O7 146.77(18) . .
O1W Nd1 O7 124.64(16) . .
O1 Nd1 O4 138.95(16) 1_665 .
O2 Nd1 O4 117.31(15) 2_865 .
O4 Nd1 O4 69.68(16) 2_875 .
O3 Nd1 O4 48.76(14) . .
O8 Nd1 O4 68.27(16) . .
O2W Nd1 O4 67.76(16) . .
O1W Nd1 O4 132.46(16) . .
O7 Nd1 O4 102.71(15) . .
O1 Nd1 C17 70.61(19) 1_665 .
O2 Nd1 C17 103.5(2) 2_865 .
O4 Nd1 C17 106.55(18) 2_875 .
O3 Nd1 C17 74.86(18) . .
O8 Nd1 C17 25.90(17) . .
O2W Nd1 C17 150.51(19) . .
O1W Nd1 C17 139.32(18) . .
O7 Nd1 C17 25.36(17) . .
O4 Nd1 C17 86.18(17) . .
O1 Nd1 C8 149.74(19) 1_665 .
O2 Nd1 C8 94.78(18) 2_865 .
O4 Nd1 C8 94.43(16) 2_875 .
O3 Nd1 C8 23.97(16) . .
O8 Nd1 C8 72.64(18) . .
O2W Nd1 C8 69.77(18) . .
O1W Nd1 C8 139.32(18) . .
O7 Nd1 C8 88.60(17) . .
O4 Nd1 C8 24.86(15) . .
C17 Nd1 C8 80.78(18) . .
Nd1 O1W H1WA 109.4 . .
Nd1 O1W H1WC 109.4 . .
H1WA O1W H1WC 109.5 . .
C1 O1 Nd1 171.6(5) . 1_445
C1 O2 Nd1 138.0(5) . 2_865
Nd1 O2W H2WA 109.3 . .
Nd1 O2W H2WB 109.4 . .
H2WA O2W H2WB 109.5 . .
C8 O3 Nd1 103.9(4) . .
C8 O4 Nd1 162.4(4) . 2_875
C8 O4 Nd1 86.5(4) . .
Nd1 O4 Nd1 110.32(16) 2_875 .
C10 O5 C9 118.2(6) . .
C17 O7 Nd1 93.4(4) . .
C17 O8 Nd1 93.8(4) . .
C24 O9 H9 109.5 . .
C26 O11 C25 118.8(7) . .
O1 C1 O2 124.0(6) . .
O1 C1 C2 118.7(6) . .
O2 C1 C2 117.2(6) . .
C3 C2 C7 120.5(6) . .
C3 C2 C1 119.1(6) . .
C7 C2 C1 120.3(6) . .
C4 C3 C2 119.3(6) . .
C4 C3 H3A 120.4 . .
C2 C3 H3A 120.4 . .
C3 C4 C5 120.2(6) . .
C3 C4 C8 117.9(6) . .
C5 C4 C8 121.7(6) . .
C6 C5 C4 120.3(6) . .
C6 C5 H5A 119.8 . .
C4 C5 H5A 119.8 . .
C7 C6 C5 119.7(6) . .
C7 C6 C9 120.7(6) . .
C5 C6 C9 119.4(6) . .
C6 C7 C2 119.9(6) . .
C6 C7 H7A 120.1 . .
C2 C7 H7A 120.1 . .
O3 C8 O4 120.6(6) . .
O3 C8 C4 118.0(6) . .
O4 C8 C4 121.3(6) . .
O3 C8 Nd1 52.2(3) . .
O4 C8 Nd1 68.7(4) . .
C4 C8 Nd1 166.8(5) . .
O5 C9 C6 108.6(6) . .
O5 C9 H9A 110.0 . .
C6 C9 H9A 110.0 . .
O5 C9 H9B 110.0 . .
C6 C9 H9B 110.0 . .
H9A C9 H9B 108.3 . .
O5 C10 C11 115.5(7) . .
O5 C10 C15 124.5(7) . .
C11 C10 C15 119.9(7) . .
C12 C11 C10 120.3(8) . .
C12 C11 H11A 119.8 . .
C10 C11 H11A 119.8 . .
C11 C12 C13 121.3(8) . .
C11 C12 H12A 119.3 . .
C13 C12 H12A 119.3 . .
C12 C13 C14 117.8(7) . .
C12 C13 C16 119.7(8) . .
C14 C13 C16 122.5(8) . .
C15 C14 C13 121.7(8) . .
C15 C14 H14A 119.2 . .
C13 C14 H14A 119.2 . .
C14 C15 C10 118.9(7) . .
C14 C15 H15A 120.6 . .
C10 C15 H15A 120.6 . .
O6 C16 C13 124.0(11) . .
O6 C16 H16A 118.0 . .
C13 C16 H16A 118.0 . .
O7 C17 O8 121.4(6) . .
O7 C17 C18 119.1(6) . .
O8 C17 C18 119.5(6) . .
O7 C17 Nd1 61.2(3) . .
O8 C17 Nd1 60.3(3) . .
C18 C17 Nd1 176.9(5) . .
C23 C18 C19 118.6(7) . .
C23 C18 C17 122.3(7) . .
C19 C18 C17 119.0(6) . .
C20 C19 C18 121.1(7) . .
C20 C19 H19A 119.4 . .
C18 C19 H19A 119.4 . .
C19 C20 C21 119.8(7) . .
C19 C20 C24 120.1(7) . .
C21 C20 C24 119.9(7) . .
C22 C21 C20 120.0(7) . .
C22 C21 H21A 120.0 . .
C20 C21 H21A 120.0 . .
C21 C22 C23 119.9(7) . .
C21 C22 C25 122.3(7) . .
C23 C22 C25 117.7(7) . .
C22 C23 C18 120.4(7) . .
C22 C23 H23A 119.8 . .
C18 C23 H23A 119.8 . .
O10 C24 O9 122.6(9) . .
O10 C24 C20 123.1(9) . .
O9 C24 C20 114.3(8) . .
O11 C25 C22 109.1(7) . .
O11 C25 H25A 109.9 . .
C22 C25 H25A 109.9 . .
O11 C25 H25B 109.9 . .
C22 C25 H25B 109.9 . .
H25A C25 H25B 108.3 . .
O11 C26 C31 124.1(8) . .
O11 C26 C27 115.3(8) . .
C31 C26 C27 120.6(8) . .
C28 C27 C26 120.1(9) . .
C28 C27 H27A 120.0 . .
C26 C27 H27A 120.0 . .
C27 C28 C29 120.9(9) . .
C27 C28 H28A 119.5 . .
C29 C28 H28A 119.5 . .
C30 C29 C28 119.0(8) . .
C30 C29 C32 123.3(9) . .
C28 C29 C32 117.6(9) . .
C29 C30 C31 120.9(9) . .
C29 C30 H30A 119.5 . .
C31 C30 H30A 119.5 . .
C26 C31 C30 118.4(8) . .
C26 C31 H31A 120.8 . .
C30 C31 H31A 120.8 . .
O12 C32 C29 124.1(11) . .
O12 C32 H32A 117.9 . .
C29 C32 H32A 117.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O1 2.367(5) 1_665
Nd1 O2 2.372(5) 2_865
Nd1 O4 2.427(4) 2_875
Nd1 O3 2.454(5) .
Nd1 O8 2.537(5) .
Nd1 O2W 2.542(5) .
Nd1 O1W 2.545(5) .
Nd1 O7 2.558(5) .
Nd1 O4 2.815(5) .
Nd1 C17 2.913(7) .
Nd1 C8 3.017(7) .
O1W H1WA 0.9600 .
O1W H1WC 0.9599 .
O1 C1 1.241(8) .
O1 Nd1 2.367(5) 1_445
O2 C1 1.242(8) .
O2 Nd1 2.372(5) 2_865
O2W H2WA 0.9600 .
O2W H2WB 0.9601 .
O3 C8 1.262(8) .
O4 C8 1.270(8) .
O4 Nd1 2.427(4) 2_875
O5 C10 1.351(9) .
O5 C9 1.433(9) .
O6 C16 1.206(13) .
O7 C17 1.250(8) .
O8 C17 1.275(8) .
O9 C24 1.289(11) .
O9 H9 0.8200 .
O10 C24 1.188(12) .
O11 C26 1.359(9) .
O11 C25 1.424(10) .
O12 C32 1.194(13) .
C1 C2 1.499(9) .
C2 C3 1.396(9) .
C2 C7 1.397(9) .
C3 C4 1.382(9) .
C3 H3A 0.9300 .
C4 C5 1.395(9) .
C4 C8 1.497(9) .
C5 C6 1.391(10) .
C5 H5A 0.9300 .
C6 C7 1.381(10) .
C6 C9 1.498(9) .
C7 H7A 0.9300 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.378(12) .
C10 C15 1.390(10) .
C11 C12 1.364(12) .
C11 H11A 0.9300 .
C12 C13 1.388(12) .
C12 H12A 0.9300 .
C13 C14 1.388(12) .
C13 C16 1.448(12) .
C14 C15 1.381(11) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.491(10) .
C18 C23 1.395(10) .
C18 C19 1.399(10) .
C19 C20 1.366(11) .
C19 H19A 0.9300 .
C20 C21 1.397(11) .
C20 C24 1.483(12) .
C21 C22 1.383(11) .
C21 H21A 0.9300 .
C22 C23 1.387(11) .
C22 C25 1.512(11) .
C23 H23A 0.9300 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C31 1.383(12) .
C26 C27 1.388(12) .
C27 C28 1.362(12) .
C27 H27A 0.9300 .
C28 C29 1.399(13) .
C28 H28A 0.9300 .
C29 C30 1.371(13) .
C29 C32 1.457(13) .
C30 C31 1.414(12) .
C30 H30A 0.9300 .
C31 H31A 0.9300 .
C32 H32A 0.9300 .
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
O1 Nd1 O3 C8 123.4(4) 1_665 .
O2 Nd1 O3 C8 -149.2(5) 2_865 .
O4 Nd1 O3 C8 0.6(5) 2_875 .
O8 Nd1 O3 C8 75.0(4) . .
O2W Nd1 O3 C8 -68.1(4) . .
O1W Nd1 O3 C8 -108.9(5) . .
O7 Nd1 O3 C8 127.9(5) . .
O4 Nd1 O3 C8 3.2(4) . .
C17 Nd1 O3 C8 101.5(5) . .
O1 Nd1 O4 C8 -130.6(4) 1_665 .
O2 Nd1 O4 C8 27.0(4) 2_865 .
O4 Nd1 O4 C8 174.5(5) 2_875 .
O3 Nd1 O4 C8 -3.1(4) . .
O8 Nd1 O4 C8 -95.5(4) . .
O2W Nd1 O4 C8 89.6(4) . .
O1W Nd1 O4 C8 118.1(4) . .
O7 Nd1 O4 C8 -56.9(4) . .
C17 Nd1 O4 C8 -76.2(4) . .
O1 Nd1 O4 Nd1 54.9(3) 1_665 2_875
O2 Nd1 O4 Nd1 -147.6(2) 2_865 2_875
O4 Nd1 O4 Nd1 0.0 2_875 2_875
O3 Nd1 O4 Nd1 -177.6(3) . 2_875
O8 Nd1 O4 Nd1 89.9(2) . 2_875
O2W Nd1 O4 Nd1 -84.9(2) . 2_875
O1W Nd1 O4 Nd1 -56.5(3) . 2_875
O7 Nd1 O4 Nd1 128.57(19) . 2_875
C17 Nd1 O4 Nd1 109.2(2) . 2_875
C8 Nd1 O4 Nd1 -174.5(5) . 2_875
O1 Nd1 O7 C17 87.3(4) 1_665 .
O2 Nd1 O7 C17 -166.3(4) 2_865 .
O4 Nd1 O7 C17 23.5(5) 2_875 .
O3 Nd1 O7 C17 -89.9(4) . .
O8 Nd1 O7 C17 -2.5(4) . .
O2W Nd1 O7 C17 -119.2(4) . .
O1W Nd1 O7 C17 134.0(4) . .
O4 Nd1 O7 C17 -50.5(4) . .
C8 Nd1 O7 C17 -71.2(4) . .
O1 Nd1 O8 C17 -71.7(4) 1_665 .
O2 Nd1 O8 C17 22.6(5) 2_865 .
O4 Nd1 O8 C17 -157.9(4) 2_875 .
O3 Nd1 O8 C17 80.8(4) . .
O2W Nd1 O8 C17 137.9(4) . .
O1W Nd1 O8 C17 -94.6(5) . .
O7 Nd1 O8 C17 2.4(4) . .
O4 Nd1 O8 C17 131.0(4) . .
C8 Nd1 O8 C17 105.0(4) . .
Nd1 O1 C1 O2 69(4) 1_445 .
Nd1 O1 C1 C2 -114(3) 1_445 .
Nd1 O2 C1 O1 -1.8(12) 2_865 .
Nd1 O2 C1 C2 -178.9(5) 2_865 .
O1 C1 C2 C3 -155.5(7) . .
O2 C1 C2 C3 21.7(9) . .
O1 C1 C2 C7 19.8(10) . .
O2 C1 C2 C7 -163.0(7) . .
C7 C2 C3 C4 -4.3(10) . .
C1 C2 C3 C4 171.0(6) . .
C2 C3 C4 C5 4.6(10) . .
C2 C3 C4 C8 -170.1(6) . .
C3 C4 C5 C6 -1.2(10) . .
C8 C4 C5 C6 173.4(6) . .
C4 C5 C6 C7 -2.7(10) . .
C4 C5 C6 C9 -177.9(6) . .
C5 C6 C7 C2 3.0(10) . .
C9 C6 C7 C2 178.2(6) . .
C3 C2 C7 C6 0.5(10) . .
C1 C2 C7 C6 -174.7(6) . .
Nd1 O3 C8 O4 -6.2(7) . .
Nd1 O3 C8 C4 169.6(5) . .
Nd1 O4 C8 O3 168.1(11) 2_875 .
Nd1 O4 C8 O3 5.2(6) . .
Nd1 O4 C8 C4 -7.5(19) 2_875 .
Nd1 O4 C8 C4 -170.4(6) . .
Nd1 O4 C8 Nd1 162.8(15) 2_875 .
C3 C4 C8 O3 -25.1(9) . .
C5 C4 C8 O3 160.2(7) . .
C3 C4 C8 O4 150.6(6) . .
C5 C4 C8 O4 -24.1(10) . .
C3 C4 C8 Nd1 14(2) . .
C5 C4 C8 Nd1 -160.9(16) . .
O1 Nd1 C8 O3 -92.3(5) 1_665 .
O2 Nd1 C8 O3 29.6(5) 2_865 .
O4 Nd1 C8 O3 -179.4(4) 2_875 .
O8 Nd1 C8 O3 -98.7(4) . .
O2W Nd1 C8 O3 105.1(5) . .
O1W Nd1 C8 O3 98.4(5) . .
O7 Nd1 C8 O3 -49.1(4) . .
O4 Nd1 C8 O3 -174.3(7) . .
C17 Nd1 C8 O3 -73.4(4) . .
O1 Nd1 C8 O4 82.0(5) 1_665 .
O2 Nd1 C8 O4 -156.1(4) 2_865 .
O4 Nd1 C8 O4 -5.1(4) 2_875 .
O3 Nd1 C8 O4 174.3(7) . .
O8 Nd1 C8 O4 75.6(4) . .
O2W Nd1 C8 O4 -80.6(4) . .
O1W Nd1 C8 O4 -87.3(4) . .
O7 Nd1 C8 O4 125.2(4) . .
C17 Nd1 C8 O4 100.9(4) . .
O1 Nd1 C8 C4 -136.9(19) 1_665 .
O2 Nd1 C8 C4 -15(2) 2_865 .
O4 Nd1 C8 C4 136(2) 2_875 .
O3 Nd1 C8 C4 -44.6(19) . .
O8 Nd1 C8 C4 -143(2) . .
O2W Nd1 C8 C4 61(2) . .
O1W Nd1 C8 C4 54(2) . .
O7 Nd1 C8 C4 -94(2) . .
O4 Nd1 C8 C4 141(2) . .
C17 Nd1 C8 C4 -118(2) . .
C10 O5 C9 C6 163.6(7) . .
C7 C6 C9 O5 89.7(8) . .
C5 C6 C9 O5 -95.1(8) . .
C9 O5 C10 C11 -169.8(8) . .
C9 O5 C10 C15 6.6(12) . .
O5 C10 C11 C12 174.6(9) . .
C15 C10 C11 C12 -2.0(14) . .
C10 C11 C12 C13 -0.9(15) . .
C11 C12 C13 C14 3.3(14) . .
C11 C12 C13 C16 -173.8(9) . .
C12 C13 C14 C15 -2.9(13) . .
C16 C13 C14 C15 174.1(9) . .
C13 C14 C15 C10 0.2(13) . .
O5 C10 C15 C14 -174.0(8) . .
C11 C10 C15 C14 2.3(13) . .
C12 C13 C16 O6 178.3(11) . .
C14 C13 C16 O6 1.4(17) . .
Nd1 O7 C17 O8 4.5(7) . .
Nd1 O7 C17 C18 -176.5(6) . .
Nd1 O8 C17 O7 -4.5(7) . .
Nd1 O8 C17 C18 176.4(6) . .
O1 Nd1 C17 O7 -83.4(4) 1_665 .
O2 Nd1 C17 O7 13.8(4) 2_865 .
O4 Nd1 C17 O7 -161.5(4) 2_875 .
O3 Nd1 C17 O7 82.8(4) . .
O8 Nd1 C17 O7 175.6(7) . .
O2W Nd1 C17 O7 103.7(5) . .
O1W Nd1 C17 O7 -65.3(5) . .
O4 Nd1 C17 O7 131.0(4) . .
C8 Nd1 C17 O7 106.6(4) . .
O1 Nd1 C17 O8 101.0(4) 1_665 .
O2 Nd1 C17 O8 -161.8(4) 2_865 .
O4 Nd1 C17 O8 22.9(4) 2_875 .
O3 Nd1 C17 O8 -92.8(4) . .
O2W Nd1 C17 O8 -71.9(6) . .
O1W Nd1 C17 O8 119.2(4) . .
O7 Nd1 C17 O8 -175.6(7) . .
O4 Nd1 C17 O8 -44.6(4) . .
C8 Nd1 C17 O8 -69.0(4) . .
O1 Nd1 C17 C18 13(9) 1_665 .
O2 Nd1 C17 C18 110(9) 2_865 .
O4 Nd1 C17 C18 -66(9) 2_875 .
O3 Nd1 C17 C18 179(100) . .
O8 Nd1 C17 C18 -88(9) . .
O2W Nd1 C17 C18 -160(9) . .
O1W Nd1 C17 C18 31(9) . .
O7 Nd1 C17 C18 96(9) . .
O4 Nd1 C17 C18 -133(9) . .
C8 Nd1 C17 C18 -157(9) . .
O7 C17 C18 C23 176.6(7) . .
O8 C17 C18 C23 -4.4(11) . .
Nd1 C17 C18 C23 82(9) . .
O7 C17 C18 C19 -1.4(10) . .
O8 C17 C18 C19 177.7(7) . .
Nd1 C17 C18 C19 -96(9) . .
C23 C18 C19 C20 -0.3(11) . .
C17 C18 C19 C20 177.7(7) . .
C18 C19 C20 C21 1.1(13) . .
C18 C19 C20 C24 -174.0(8) . .
C19 C20 C21 C22 0.1(13) . .
C24 C20 C21 C22 175.1(9) . .
C20 C21 C22 C23 -1.9(13) . .
C20 C21 C22 C25 -179.7(9) . .
C21 C22 C23 C18 2.7(13) . .
C25 C22 C23 C18 -179.5(8) . .
C19 C18 C23 C22 -1.5(12) . .
C17 C18 C23 C22 -179.5(7) . .
C19 C20 C24 O10 170.2(12) . .
C21 C20 C24 O10 -4.8(17) . .
C19 C20 C24 O9 -9.5(14) . .
C21 C20 C24 O9 175.5(10) . .
C26 O11 C25 C22 -178.6(8) . .
C21 C22 C25 O11 -4.7(13) . .
C23 C22 C25 O11 177.5(8) . .
C25 O11 C26 C31 -5.6(14) . .
C25 O11 C26 C27 174.4(9) . .
O11 C26 C27 C28 -179.3(9) . .
C31 C26 C27 C28 0.8(15) . .
C26 C27 C28 C29 -0.4(16) . .
C27 C28 C29 C30 0.1(15) . .
C27 C28 C29 C32 176.9(10) . .
C28 C29 C30 C31 -0.2(15) . .
C32 C29 C30 C31 -176.7(10) . .
O11 C26 C31 C30 179.3(9) . .
C27 C26 C31 C30 -0.8(15) . .
C29 C30 C31 C26 0.5(15) . .
C30 C29 C32 O12 -2.5(19) . .
C28 C29 C32 O12 -179.1(12) . .
