#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:08:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180413 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/82/7208221.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_7208221
loop_
_publ_author_name
'Yan, Xuhuan'
'Yan, Zhenzhong'
'Zhang, Ye'
'Liu, Weisheng'
'Tang, Yu'
'Tan, Minyu'
_publ_section_title
;
 Anions make the difference: conversion from zero- to one-dimensional
 structures and luminescent properties of lanthanide-based complexes
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              4989
_journal_paper_doi               10.1039/c2ce25210d
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C59 H51 N12 Nd O26'
_chemical_formula_weight         1488.36
_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                96.547(2)
_cell_angle_beta                 109.7240(10)
_cell_angle_gamma                114.2660(10)
_cell_formula_units_Z            2
_cell_length_a                   13.6963(9)
_cell_length_b                   15.9834(14)
_cell_length_c                   17.5498(12)
_cell_measurement_temperature    294(2)
_cell_volume                     3150.8(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0909
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16585
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.920
_exptl_absorpt_correction_T_max  0.8094
_exptl_absorpt_correction_T_min  0.7959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1514
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.486
_refine_diff_density_min         -0.606
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     888
_refine_ls_number_reflns         11545
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0580
_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)+(0.0543P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1397
_reflns_number_gt                6986
_reflns_number_total             11545
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25210d.txt
_cod_data_source_block           852907
_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_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3150.7(4)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7208221
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
C2 C 0.7463(5) 1.3667(4) 0.6614(4) 0.0555(15) Uani 1 1 d .
C3 C 0.5613(6) 1.2247(5) 0.6249(6) 0.087(2) Uani 1 1 d .
H3 H 0.5156 1.1719 0.6380 0.105 Uiso 1 1 calc R
C4 C 0.5773(9) 1.3199(7) 0.5297(6) 0.122(4) Uani 1 1 d .
H4 H 0.5436 1.3312 0.4790 0.147 Uiso 1 1 calc R
C5 C 0.5130(8) 1.2427(7) 0.5504(7) 0.120(4) Uani 1 1 d .
H5 H 0.4344 1.2012 0.5132 0.144 Uiso 1 1 calc R
C6 C 0.6928(7) 1.3803(5) 0.5854(4) 0.086(2) Uani 1 1 d .
H6 H 0.7371 1.4328 0.5713 0.104 Uiso 1 1 calc R
C7 C 1.1841(5) 1.0425(4) 0.6366(4) 0.0599(16) Uani 1 1 d .
H7 H 1.2556 1.0837 0.6364 0.072 Uiso 1 1 calc R
C8 C 1.1711(5) 0.9621(4) 0.6605(4) 0.0548(15) Uani 1 1 d .
C9 C 0.9726(5) 0.9214(4) 0.6364(4) 0.0518(14) Uani 1 1 d .
C10 C 1.0649(5) 0.8941(4) 0.6624(3) 0.0523(14) Uani 1 1 d .
C11 C 1.0923(6) 1.0632(4) 0.6127(4) 0.0651(17) Uani 1 1 d .
C12 C 0.9853(5) 1.0022(4) 0.6116(4) 0.0608(16) Uani 1 1 d .
H12 H 0.9227 1.0157 0.5944 0.073 Uiso 1 1 calc R
C13 C 1.2081(6) 0.9577(5) 0.8793(4) 0.080(2) Uani 1 1 d .
H13 H 1.1959 0.8956 0.8772 0.097 Uiso 1 1 calc R
C14 C 1.3168(7) 1.0268(7) 0.8894(5) 0.104(3) Uani 1 1 d .
H14 H 1.3786 1.0134 0.8963 0.125 Uiso 1 1 calc R
C15 C 1.2468(8) 1.1418(5) 0.8847(5) 0.098(3) Uani 1 1 d .
H15 H 1.2612 1.2042 0.8859 0.117 Uiso 1 1 calc R
C16 C 1.1358(7) 1.0694(6) 0.8783(4) 0.087(2) Uani 1 1 d .
C17 C 1.3294(8) 1.1139(7) 0.8887(5) 0.108(3) Uani 1 1 d .
H17 H 1.4007 1.1595 0.8912 0.129 Uiso 1 1 calc R
C18 C 1.1159(5) 0.9771(4) 0.8723(4) 0.0655(17) Uani 1 1 d .
C19 C 1.2570(5) 0.6791(4) 0.7528(4) 0.0501(14) Uani 1 1 d .
C20 C 1.3497(5) 0.6605(4) 0.7623(4) 0.0579(16) Uani 1 1 d .
H20 H 1.3610 0.6411 0.7154 0.070 Uiso 1 1 calc R
C21 C 1.4247(5) 0.6711(4) 0.8420(4) 0.0594(16) Uani 1 1 d .
C22 C 1.2361(5) 0.7093(4) 0.8213(4) 0.0487(14) Uani 1 1 d .
C23 C 1.3217(5) 0.7219(4) 0.9021(4) 0.0578(16) Uani 1 1 d .
C24 C 1.4133(5) 0.7030(4) 0.9138(4) 0.0659(17) Uani 1 1 d .
H24 H 1.4659 0.7111 0.9676 0.079 Uiso 1 1 calc R
C25 C 0.5810(5) 0.4861(4) 0.6924(4) 0.0559(15) Uani 1 1 d .
C26 C 0.6826(5) 0.4460(4) 0.8373(4) 0.0555(15) Uani 1 1 d .
H26 H 0.7157 0.4324 0.8868 0.067 Uiso 1 1 calc R
C27 C 0.5140(5) 0.4096(4) 0.7121(4) 0.0593(16) Uani 1 1 d .
H27 H 0.4338 0.3712 0.6771 0.071 Uiso 1 1 calc R
C28 C 0.7508(5) 0.5224(4) 0.8175(4) 0.0501(14) Uani 1 1 d .
C29 C 0.7062(5) 0.5477(4) 0.7419(4) 0.0515(14) Uani 1 1 d .
C30 C 0.5654(5) 0.3895(4) 0.7839(4) 0.0570(16) Uani 1 1 d .
C32 C 0.8551(6) 1.1908(5) 0.6499(5) 0.077(2) Uani 1 1 d .
H32 H 0.9246 1.2379 0.6950 0.092 Uiso 1 1 calc R
C33 C 0.8239(9) 1.2074(7) 0.5715(7) 0.102(3) Uani 1 1 d .
H33 H 0.8719 1.2645 0.5646 0.123 Uiso 1 1 calc R
C34 C 0.6869(6) 1.0395(5) 0.5956(5) 0.087(2) Uani 1 1 d .
H34 H 0.6395 0.9824 0.6028 0.105 Uiso 1 1 calc R
C35 C 0.7228(11) 1.1398(9) 0.5051(6) 0.112(3) Uani 1 1 d .
H35 H 0.6994 1.1504 0.4525 0.135 Uiso 1 1 calc R
C36 C 0.6555(8) 1.0548(8) 0.5171(6) 0.114(3) Uani 1 1 d .
H36 H 0.5876 1.0069 0.4714 0.136 Uiso 1 1 calc R
C37 C 1.1449(5) 1.4546(4) 0.8438(4) 0.0567(15) Uani 1 1 d .
C38 C 1.2278(6) 1.4649(5) 0.9194(5) 0.087(2) Uani 1 1 d .
H38 H 1.2239 1.4866 0.9692 0.104 Uiso 1 1 calc R
C39 C 1.1510(6) 1.4218(5) 0.7717(5) 0.085(2) Uani 1 1 d .
H39 H 1.0957 1.4146 0.7194 0.103 Uiso 1 1 calc R
C40 C 1.3224(9) 1.4113(7) 0.8525(10) 0.137(5) Uani 1 1 d .
H40 H 1.3824 1.3968 0.8550 0.165 Uiso 1 1 calc R
C41 C 1.3169(8) 1.4441(7) 0.9239(7) 0.117(3) Uani 1 1 d .
H41 H 1.3733 1.4527 0.9762 0.141 Uiso 1 1 calc R
C42 C 1.2390(9) 1.3993(7) 0.7760(7) 0.128(4) Uani 1 1 d .
H42 H 1.2419 1.3757 0.7263 0.153 Uiso 1 1 calc R
C43 C 1.0525(5) 1.4845(5) 0.8432(4) 0.0725(19) Uani 1 1 d .
H43A H 1.0516 1.4915 0.8986 0.087 Uiso 1 1 calc R
H43B H 1.0746 1.5466 0.8328 0.087 Uiso 1 1 calc R
C46 C 1.0037(5) 0.8926(5) 0.8566(4) 0.0636(17) Uani 1 1 d .
C47 C 1.0675(8) 1.1851(5) 0.8903(6) 0.123(3) Uani 1 1 d .
H47A H 1.0769 1.2082 0.8431 0.148 Uiso 1 1 calc R
H47B H 1.1395 1.2259 0.9412 0.148 Uiso 1 1 calc R
C48 C 0.9660(9) 1.1882(6) 0.8998(5) 0.115(3) Uani 1 1 d .
H48A H 0.9948 1.2487 0.9407 0.138 Uiso 1 1 calc R
H48B H 0.9315 1.1371 0.9227 0.138 Uiso 1 1 calc R
C50 C 0.8017(6) 0.8233(5) 0.8499(6) 0.109(3) Uani 1 1 d .
H50A H 0.7812 0.7700 0.8043 0.131 Uiso 1 1 calc R
H50B H 0.8080 0.8023 0.9002 0.131 Uiso 1 1 calc R
C51 C 0.7073(6) 0.8511(4) 0.8268(5) 0.0657(17) Uani 1 1 d .
C52 C 0.6296(9) 0.8271(6) 0.7436(6) 0.113(3) Uani 1 1 d .
H52 H 0.6353 0.7927 0.7004 0.135 Uiso 1 1 calc R
C53 C 0.6939(6) 0.9005(5) 0.8879(5) 0.080(2) Uani 1 1 d .
H53 H 0.7446 0.9165 0.9445 0.096 Uiso 1 1 calc R
C55 C 0.7796(8) 1.1795(5) 0.8419(5) 0.096(3) Uani 1 1 d .
H55A H 0.8151 1.2352 0.8902 0.116 Uiso 1 1 calc R
H55B H 0.7462 1.1229 0.8594 0.116 Uiso 1 1 calc R
C56 C 0.6081(10) 0.9269(7) 0.8678(9) 0.126(4) Uani 1 1 d .
H56 H 0.5997 0.9611 0.9094 0.151 Uiso 1 1 calc R
C57 C 0.5378(12) 0.9022(10) 0.7875(12) 0.171(9) Uani 1 1 d .
H57 H 0.4793 0.9206 0.7745 0.205 Uiso 1 1 calc R
C58 C 0.5411(14) 0.8552(12) 0.7247(9) 0.183(10) Uani 1 1 d .
H58 H 0.4874 0.8403 0.6692 0.219 Uiso 1 1 calc R
C59 C 0.6806(6) 1.1820(5) 0.7727(5) 0.086(2) Uani 1 1 d .
H59A H 0.6460 1.1292 0.7222 0.103 Uiso 1 1 calc R
H59B H 0.6193 1.1770 0.7907 0.103 Uiso 1 1 calc R
C60 C 0.6790(5) 1.2861(4) 0.6805(4) 0.0593(17) Uani 1 1 d .
C61 C 0.7895(6) 1.1096(5) 0.6639(4) 0.0634(17) Uani 1 1 d .
C62 C 0.8704(5) 1.4388(4) 0.7184(4) 0.0547(15) Uani 1 1 d .
C63 C 0.8262(6) 1.0935(5) 0.7497(5) 0.085(2) Uani 1 1 d .
H63A H 0.7586 1.0410 0.7509 0.102 Uiso 1 1 calc R
H63B H 0.8868 1.0744 0.7578 0.102 Uiso 1 1 calc R
C64 C 0.8604(8) 0.6359(7) 0.5012(7) 0.136(4) Uani 1 1 d .
H64A H 0.8088 0.6557 0.4642 0.163 Uiso 1 1 calc R
H64B H 0.9413 0.6869 0.5226 0.163 Uiso 1 1 calc R
C65 C 0.8482(9) 0.5520(8) 0.4568(7) 0.180(6) Uani 1 1 d .
H65A H 0.8835 0.5244 0.4960 0.270 Uiso 1 1 calc R
H65B H 0.8869 0.5662 0.4198 0.270 Uiso 1 1 calc R
H65C H 0.7658 0.5073 0.4239 0.270 Uiso 1 1 calc R
N1 N 1.5218(5) 0.6481(4) 0.8534(5) 0.0802(17) Uani 1 1 d .
N2 N 0.9172(5) 0.9047(4) 0.8661(4) 0.0914(19) Uani 1 1 d .
H2A H 0.9014 0.9405 0.8327 0.110 Uiso 1 1 calc R
H2B H 0.9478 0.9409 0.9199 0.110 Uiso 1 1 calc R
N3 N 0.9326(4) 1.4146(3) 0.7784(3) 0.0633(14) Uani 1 1 d .
N4 N 1.1047(7) 1.1466(4) 0.5836(4) 0.0912(19) Uani 1 1 d .
N5 N 0.4953(6) 0.3076(4) 0.8053(5) 0.0812(17) Uani 1 1 d .
N6 N 0.5189(6) 0.5069(5) 0.6176(4) 0.0843(18) Uani 1 1 d .
N7 N 1.1785(5) 0.6648(3) 0.6670(3) 0.0613(13) Uani 1 1 d .
N8 N 0.8744(4) 0.5789(4) 0.8781(4) 0.0660(14) Uani 1 1 d .
N9 N 0.8583(5) 0.8601(4) 0.6349(4) 0.0700(15) Uani 1 1 d .
N10 N 0.8717(6) 1.1785(4) 0.8202(4) 0.0799(17) Uani 1 1 d .
N11 N 1.3060(5) 0.7548(5) 0.9772(4) 0.0800(17) Uani 1 1 d .
N12 N 1.2743(5) 0.9477(4) 0.6867(4) 0.0691(15) Uani 1 1 d .
Nd1 Nd 0.95840(3) 0.68753(2) 0.72554(2) 0.05516(13) Uani 1 1 d .
O1 O 1.0455(5) 1.0877(3) 0.8754(3) 0.1008(17) Uani 1 1 d .
O2 O 0.7319(4) 1.2730(3) 0.7559(3) 0.0682(11) Uani 1 1 d .
O3 O 1.2391(5) 0.6935(5) 0.9961(4) 0.130(2) Uani 1 1 d .
O4 O 1.3580(6) 0.8370(5) 1.0124(4) 0.140(3) Uani 1 1 d .
O5 O 1.3690(4) 1.0133(3) 0.6976(4) 0.0976(17) Uani 1 1 d .
O6 O 1.2634(4) 0.8709(4) 0.6926(4) 0.124(2) Uani 1 1 d .
O7 O 1.1973(5) 1.1954(4) 0.5797(4) 0.120(2) Uani 1 1 d .
O8 O 1.0211(6) 1.1616(4) 0.5607(5) 0.139(3) Uani 1 1 d .
O9 O 0.5403(5) 0.2998(5) 0.8754(5) 0.143(3) Uani 1 1 d .
O10 O 0.3945(5) 0.2530(4) 0.7555(4) 0.114(2) Uani 1 1 d .
O11 O 0.4172(5) 0.4574(6) 0.5793(5) 0.188(4) Uani 1 1 d .
O12 O 0.5700(6) 0.5700(5) 0.5952(5) 0.189(4) Uani 1 1 d .
O13 O 1.0774(4) 0.6505(3) 0.6504(3) 0.0690(12) Uani 1 1 d .
O14 O 1.1500(3) 0.7257(3) 0.8167(2) 0.0571(10) Uani 1 1 d .
O15 O 0.9885(3) 0.8101(3) 0.8355(3) 0.0728(13) Uani 1 1 d .
O16 O 1.0531(3) 0.8194(3) 0.6835(3) 0.0669(11) Uani 1 1 d .
O17 O 0.7676(3) 0.6161(3) 0.7210(3) 0.0686(12) Uani 1 1 d .
O18 O 0.9484(3) 0.6367(3) 0.8609(3) 0.0711(12) Uani 1 1 d .
O19 O 0.9137(4) 1.5200(3) 0.7075(2) 0.0679(11) Uani 1 1 d .
O20 O 0.8285(5) 0.6173(4) 0.5725(3) 0.0810(16) Uani 1 1 d .
O21 O 0.9029(4) 0.5646(4) 0.9473(3) 0.118(2) Uani 1 1 d .
O22 O 1.2157(4) 0.6653(4) 0.6120(3) 0.0937(16) Uani 1 1 d .
O23 O 0.8404(4) 0.7895(4) 0.6599(4) 0.0994(17) Uani 1 1 d .
O24 O 0.7804(4) 0.8799(4) 0.6067(4) 0.124(2) Uani 1 1 d .
O25 O 1.5271(4) 0.6152(4) 0.7899(4) 0.1035(18) Uani 1 1 d .
O26 O 1.5909(5) 0.6639(4) 0.9257(4) 0.1048(18) Uani 1 1 d .
H20A H 0.765(5) 0.595(5) 0.561(4) 0.07(3) Uiso 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'
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
C6 C2 C60 117.6(6) . .
C6 C2 C62 118.4(6) . .
C60 C2 C62 124.0(6) . .
C5 C3 C60 119.5(8) . .
C5 C3 H3 120.3 . .
C60 C3 H3 120.3 . .
C5 C4 C6 118.3(9) . .
C5 C4 H4 120.9 . .
C6 C4 H4 120.9 . .
C4 C5 C3 121.7(9) . .
C4 C5 H5 119.2 . .
C3 C5 H5 119.2 . .
C4 C6 C2 122.9(8) . .
C4 C6 H6 118.5 . .
C2 C6 H6 118.5 . .
C8 C7 C11 120.3(6) . .
C8 C7 H7 119.9 . .
C11 C7 H7 119.9 . .
C7 C8 C10 124.1(6) . .
C7 C8 N12 116.2(5) . .
C10 C8 N12 119.7(5) . .
C12 C9 C10 124.0(5) . .
C12 C9 N9 116.8(5) . .
C10 C9 N9 119.2(5) . .
O16 C10 C8 123.7(5) . .
O16 C10 C9 124.3(5) . .
C8 C10 C9 112.0(5) . .
C7 C11 C12 120.6(6) . .
C7 C11 N4 120.1(6) . .
C12 C11 N4 119.2(6) . .
C9 C12 C11 119.0(6) . .
C9 C12 H12 120.5 . .
C11 C12 H12 120.5 . .
C14 C13 C18 122.5(8) . .
C14 C13 H13 118.7 . .
C18 C13 H13 118.7 . .
C17 C14 C13 117.0(9) . .
C17 C14 H14 121.5 . .
C13 C14 H14 121.5 . .
C17 C15 C16 116.4(8) . .
C17 C15 H15 121.8 . .
C16 C15 H15 121.8 . .
O1 C16 C18 117.3(7) . .
O1 C16 C15 122.7(8) . .
C18 C16 C15 120.0(8) . .
C14 C17 C15 125.5(9) . .
C14 C17 H17 117.3 . .
C15 C17 H17 117.3 . .
C16 C18 C13 118.4(6) . .
C16 C18 C46 126.9(7) . .
C13 C18 C46 114.8(6) . .
C20 C19 C22 123.2(5) . .
C20 C19 N7 116.8(5) . .
C22 C19 N7 120.0(5) . .
C21 C20 C19 118.8(6) . .
C21 C20 H20 120.6 . .
C19 C20 H20 120.6 . .
C20 C21 C24 122.4(6) . .
C20 C21 N1 119.8(6) . .
C24 C21 N1 117.8(6) . .
O14 C22 C19 126.3(5) . .
O14 C22 C23 120.0(5) . .
C19 C22 C23 113.7(5) . .
C24 C23 C22 124.6(6) . .
C24 C23 N11 118.7(6) . .
C22 C23 N11 116.7(5) . .
C23 C24 C21 117.1(6) . .
C23 C24 H24 121.4 . .
C21 C24 H24 121.4 . .
C27 C25 C29 123.9(6) . .
C27 C25 N6 116.5(6) . .
C29 C25 N6 119.5(6) . .
C28 C26 C30 119.6(6) . .
C28 C26 H26 120.2 . .
C30 C26 H26 120.2 . .
C25 C27 C30 119.4(6) . .
C25 C27 H27 120.3 . .
C30 C27 H27 120.3 . .
C26 C28 C29 123.4(5) . .
C26 C28 N8 115.9(5) . .
C29 C28 N8 120.6(5) . .
O17 C29 C28 124.8(5) . .
O17 C29 C25 123.1(6) . .
C28 C29 C25 112.1(5) . .
C27 C30 C26 121.3(6) . .
C27 C30 N5 120.0(6) . .
C26 C30 N5 118.7(6) . .
C61 C32 C33 123.1(8) . .
C61 C32 H32 118.5 . .
C33 C32 H32 118.5 . .
C35 C33 C32 119.5(9) . .
C35 C33 H33 120.3 . .
C32 C33 H33 120.3 . .
C36 C34 C61 119.9(8) . .
C36 C34 H34 120.1 . .
C61 C34 H34 120.1 . .
C33 C35 C36 118.6(9) . .
C33 C35 H35 120.7 . .
C36 C35 H35 120.7 . .
C34 C36 C35 121.3(9) . .
C34 C36 H36 119.4 . .
C35 C36 H36 119.4 . .
C39 C37 C38 118.4(7) . .
C39 C37 C43 122.4(6) . .
C38 C37 C43 119.1(6) . .
C37 C38 C41 121.6(8) . .
C37 C38 H38 119.2 . .
C41 C38 H38 119.2 . .
C37 C39 C42 120.0(8) . .
C37 C39 H39 120.0 . .
C42 C39 H39 120.0 . .
C41 C40 C42 119.4(10) . .
C41 C40 H40 120.3 . .
C42 C40 H40 120.3 . .
C40 C41 C38 119.7(10) . .
C40 C41 H41 120.1 . .
C38 C41 H41 120.1 . .
C40 C42 C39 120.7(10) . .
C40 C42 H42 119.6 . .
C39 C42 H42 119.6 . .
N3 C43 C37 112.6(5) . .
N3 C43 H43A 109.1 . .
C37 C43 H43A 109.1 . .
N3 C43 H43B 109.1 . .
C37 C43 H43B 109.1 . .
H43A C43 H43B 107.8 . .
O15 C46 N2 118.9(5) . .
O15 C46 C18 121.1(6) . .
N2 C46 C18 120.0(6) . .
O1 C47 C48 108.2(7) . .
O1 C47 H47A 110.1 . .
C48 C47 H47A 110.1 . .
O1 C47 H47B 110.1 . .
C48 C47 H47B 110.1 . .
H47A C47 H47B 108.4 . .
C47 C48 N10 114.8(7) . .
C47 C48 H48A 108.6 . .
N10 C48 H48A 108.6 . .
C47 C48 H48B 108.6 . .
N10 C48 H48B 108.6 . .
H48A C48 H48B 107.5 . .
C51 C50 N2 111.2(6) . .
C51 C50 H50A 109.4 . .
N2 C50 H50A 109.4 . .
C51 C50 H50B 109.4 . .
N2 C50 H50B 109.4 . .
H50A C50 H50B 108.0 . .
C53 C51 C52 117.9(7) . .
C53 C51 C50 120.7(7) . .
C52 C51 C50 121.5(8) . .
C51 C52 C58 119.4(11) . .
C51 C52 H52 120.3 . .
C58 C52 H52 120.3 . .
C56 C53 C51 121.5(8) . .
C56 C53 H53 119.3 . .
C51 C53 H53 119.3 . .
N10 C55 C59 115.6(6) . .
N10 C55 H55A 108.4 . .
C59 C55 H55A 108.4 . .
N10 C55 H55B 108.4 . .
C59 C55 H55B 108.4 . .
H55A C55 H55B 107.4 . .
C57 C56 C53 117.4(11) . .
C57 C56 H56 121.3 . .
C53 C56 H56 121.3 . .
C58 C57 C56 126.8(17) . .
C58 C57 H57 116.6 . .
C56 C57 H57 116.6 . .
C57 C58 C52 117.1(15) . .
C57 C58 H58 121.5 . .
C52 C58 H58 121.5 . .
O2 C59 C55 106.5(5) . .
O2 C59 H59A 110.4 . .
C55 C59 H59A 110.4 . .
O2 C59 H59B 110.4 . .
C55 C59 H59B 110.4 . .
H59A C59 H59B 108.6 . .
O2 C60 C3 122.4(7) . .
O2 C60 C2 117.6(5) . .
C3 C60 C2 120.0(7) . .
C32 C61 C34 117.6(7) . .
C32 C61 C63 121.8(7) . .
C34 C61 C63 120.6(7) . .
O19 C62 N3 122.0(6) . .
O19 C62 C2 119.3(5) . .
N3 C62 C2 118.6(5) . .
N10 C63 C61 113.6(6) . .
N10 C63 H63A 108.8 . .
C61 C63 H63A 108.8 . .
N10 C63 H63B 108.8 . .
C61 C63 H63B 108.8 . .
H63A C63 H63B 107.7 . .
C65 C64 O20 108.3(9) . .
C65 C64 H64A 110.0 . .
O20 C64 H64A 110.0 . .
C65 C64 H64B 110.0 . .
O20 C64 H64B 110.0 . .
H64A C64 H64B 108.4 . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
O25 N1 O26 124.9(6) . .
O25 N1 C21 117.4(7) . .
O26 N1 C21 117.8(7) . .
C46 N2 C50 122.8(5) . .
C46 N2 H2A 106.6 . .
C50 N2 H2A 106.6 . .
C46 N2 H2B 106.6 . .
C50 N2 H2B 106.6 . .
H2A N2 H2B 106.6 . .
C62 N3 C43 122.3(5) . .
O8 N4 O7 123.5(7) . .
O8 N4 C11 118.7(6) . .
O7 N4 C11 117.7(7) . .
O10 N5 O9 123.0(7) . .
O10 N5 C30 119.2(7) . .
O9 N5 C30 117.7(6) . .
O11 N6 O12 120.3(7) . .
O11 N6 C25 118.6(7) . .
O12 N6 C25 121.0(7) . .
O13 N7 O22 121.9(5) . .
O13 N7 C19 120.1(5) . .
O22 N7 C19 118.0(5) . .
O18 N8 O21 120.2(5) . .
O18 N8 C28 122.1(5) . .
O21 N8 C28 117.7(5) . .
O24 N9 O23 120.4(6) . .
O24 N9 C9 118.0(6) . .
O23 N9 C9 121.6(5) . .
C55 N10 C63 112.0(6) . .
C55 N10 C48 106.4(6) . .
C63 N10 C48 114.6(5) . .
O4 N11 O3 125.8(7) . .
O4 N11 C23 118.0(7) . .
O3 N11 C23 116.3(7) . .
O6 N12 O5 121.6(6) . .
O6 N12 C8 119.6(5) . .
O5 N12 C8 118.7(6) . .
O16 Nd1 O14 84.40(13) . .
O16 Nd1 O17 130.52(14) . .
O14 Nd1 O17 138.37(14) . .
O16 Nd1 O15 81.71(15) . .
O14 Nd1 O15 82.53(13) . .
O17 Nd1 O15 81.65(14) . .
O16 Nd1 O19 140.82(14) . 1_545
O14 Nd1 O19 85.82(13) . 1_545
O17 Nd1 O19 78.35(14) . 1_545
O15 Nd1 O19 134.23(15) . 1_545
O16 Nd1 O20 82.69(16) . .
O14 Nd1 O20 137.77(16) . .
O17 Nd1 O20 76.75(17) . .
O15 Nd1 O20 134.44(17) . .
O19 Nd1 O20 79.49(15) 1_545 .
O16 Nd1 O13 70.88(14) . .
O14 Nd1 O13 65.49(13) . .
O17 Nd1 O13 139.23(14) . .
O15 Nd1 O13 139.11(13) . .
O19 Nd1 O13 70.53(14) 1_545 .
O20 Nd1 O13 72.29(16) . .
O16 Nd1 O18 141.81(14) . .
O14 Nd1 O18 72.83(13) . .
O17 Nd1 O18 65.56(13) . .
O15 Nd1 O18 65.52(14) . .
O19 Nd1 O18 68.75(13) 1_545 .
O20 Nd1 O18 134.32(15) . .
O13 Nd1 O18 122.61(13) . .
O16 Nd1 O23 60.42(13) . .
O14 Nd1 O23 136.50(14) . .
O17 Nd1 O23 70.11(13) . .
O15 Nd1 O23 68.64(16) . .
O19 Nd1 O23 137.58(14) 1_545 .
O20 Nd1 O23 66.40(17) . .
O13 Nd1 O23 118.30(14) . .
O18 Nd1 O23 119.08(14) . .
C16 O1 C47 118.6(6) . .
C60 O2 C59 121.4(5) . .
N7 O13 Nd1 139.3(4) . .
C22 O14 Nd1 142.5(4) . .
C46 O15 Nd1 145.7(5) . .
C10 O16 Nd1 153.6(4) . .
C29 O17 Nd1 137.7(4) . .
N8 O18 Nd1 136.8(4) . .
C62 O19 Nd1 155.4(4) . 1_565
C64 O20 Nd1 127.9(5) . .
C64 O20 H20A 114(6) . .
Nd1 O20 H20A 116(6) . .
N9 O23 Nd1 139.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C2 C6 1.379(8) .
C2 C60 1.397(8) .
C2 C62 1.482(8) .
C3 C5 1.374(12) .
C3 C60 1.391(9) .
C3 H3 0.9300 .
C4 C5 1.362(13) .
C4 C6 1.370(10) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.358(7) .
C7 C11 1.373(8) .
C7 H7 0.9300 .
C8 C10 1.429(7) .
C8 N12 1.454(7) .
C9 C12 1.371(8) .
C9 C10 1.452(8) .
C9 N9 1.455(7) .
C10 O16 1.253(6) .
C11 C12 1.378(8) .
C11 N4 1.447(8) .
C12 H12 0.9300 .
C13 C14 1.376(9) .
C13 C18 1.389(9) .
C13 H13 0.9300 .
C14 C17 1.332(11) .
C14 H14 0.9300 .
C15 C17 1.362(11) .
C15 C16 1.439(10) .
C15 H15 0.9300 .
C16 O1 1.369(9) .
C16 C18 1.370(9) .
C17 H17 0.9300 .
C18 C46 1.478(8) .
C19 C20 1.381(7) .
C19 C22 1.405(7) .
C19 N7 1.451(7) .
C20 C21 1.367(8) .
C20 H20 0.9300 .
C21 C24 1.387(8) .
C21 N1 1.478(7) .
C22 O14 1.287(6) .
C22 C23 1.430(8) .
C23 C24 1.363(8) .
C23 N11 1.480(8) .
C24 H24 0.9300 .
C25 C27 1.358(8) .
C25 C29 1.441(7) .
C25 N6 1.461(8) .
C26 C28 1.364(7) .
C26 C30 1.367(7) .
C26 H26 0.9300 .
C27 C30 1.366(8) .
C27 H27 0.9300 .
C28 C29 1.441(8) .
C28 N8 1.457(7) .
C29 O17 1.257(6) .
C30 N5 1.448(8) .
C32 C61 1.346(9) .
C32 C33 1.388(10) .
C32 H32 0.9300 .
C33 C35 1.355(11) .
C33 H33 0.9300 .
C34 C36 1.381(11) .
C34 C61 1.388(9) .
C34 H34 0.9300 .
C35 C36 1.382(12) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C39 1.356(9) .
C37 C38 1.363(9) .
C37 C43 1.523(8) .
C38 C41 1.372(11) .
C38 H38 0.9300 .
C39 C42 1.375(11) .
C39 H39 0.9300 .
C40 C41 1.339(13) .
C40 C42 1.368(13) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 N3 1.477(7) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C46 O15 1.236(7) .
C46 N2 1.336(7) .
C47 O1 1.433(8) .
C47 C48 1.474(11) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 N10 1.487(9) .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C50 C51 1.480(9) .
C50 N2 1.482(7) .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C51 C53 1.368(9) .
C51 C52 1.378(11) .
C52 C58 1.411(17) .
C52 H52 0.9300 .
C53 C56 1.357(10) .
C53 H53 0.9300 .
C55 N10 1.441(9) .
C55 C59 1.503(10) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 C57 1.309(15) .
C56 H56 0.9300 .
C57 C58 1.29(2) .
C57 H57 0.9300 .
C58 H58 0.9300 .
C59 O2 1.447(7) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C60 O2 1.364(7) .
C61 C63 1.507(9) .
C62 O19 1.255(6) .
C62 N3 1.320(7) .
C63 N10 1.472(8) .
C63 H63A 0.9700 .
C63 H63B 0.9700 .
C64 C65 1.387(12) .
C64 O20 1.482(10) .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
N1 O25 1.215(7) .
N1 O26 1.221(7) .
N2 H2A 0.9000 .
N2 H2B 0.9000 .
N4 O8 1.210(7) .
N4 O7 1.216(7) .
N5 O10 1.205(7) .
N5 O9 1.222(7) .
N6 O11 1.165(7) .
N6 O12 1.166(7) .
N7 O13 1.226(5) .
N7 O22 1.233(6) .
N8 O18 1.214(6) .
N8 O21 1.224(6) .
N9 O24 1.201(6) .
N9 O23 1.218(6) .
N11 O4 1.168(7) .
N11 O3 1.205(7) .
N12 O6 1.195(6) .
N12 O5 1.219(6) .
Nd1 O16 2.329(4) .
Nd1 O14 2.334(4) .
Nd1 O17 2.351(4) .
Nd1 O15 2.381(4) .
Nd1 O19 2.443(4) 1_545
Nd1 O20 2.466(5) .
Nd1 O13 2.611(4) .
Nd1 O18 2.624(4) .
Nd1 O23 2.816(5) .
O19 Nd1 2.443(4) 1_565
O20 H20A 0.73(6) .
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
C6 C4 C5 C3 -0.1(14) . .
C60 C3 C5 C4 -0.5(13) . .
C5 C4 C6 C2 -0.4(13) . .
C60 C2 C6 C4 1.5(10) . .
C62 C2 C6 C4 -177.5(7) . .
C11 C7 C8 C10 0.5(10) . .
C11 C7 C8 N12 -178.5(5) . .
C7 C8 C10 O16 179.0(6) . .
N12 C8 C10 O16 -2.1(9) . .
C7 C8 C10 C9 -0.5(8) . .
N12 C8 C10 C9 178.4(5) . .
C12 C9 C10 O16 -178.5(6) . .
N9 C9 C10 O16 0.7(9) . .
C12 C9 C10 C8 1.0(8) . .
N9 C9 C10 C8 -179.8(5) . .
C8 C7 C11 C12 -0.8(10) . .
C8 C7 C11 N4 -177.2(6) . .
C10 C9 C12 C11 -1.4(9) . .
N9 C9 C12 C11 179.4(5) . .
C7 C11 C12 C9 1.3(10) . .
N4 C11 C12 C9 177.7(6) . .
C18 C13 C14 C17 -2.7(12) . .
C17 C15 C16 O1 178.8(7) . .
C17 C15 C16 C18 -3.4(11) . .
C13 C14 C17 C15 4.7(14) . .
C16 C15 C17 C14 -1.8(14) . .
O1 C16 C18 C13 -176.9(6) . .
C15 C16 C18 C13 5.2(10) . .
O1 C16 C18 C46 4.8(11) . .
C15 C16 C18 C46 -173.2(7) . .
C14 C13 C18 C16 -2.2(11) . .
C14 C13 C18 C46 176.4(7) . .
C22 C19 C20 C21 0.5(8) . .
N7 C19 C20 C21 -178.8(5) . .
C19 C20 C21 C24 -2.2(9) . .
C19 C20 C21 N1 177.7(5) . .
C20 C19 C22 O14 -178.3(5) . .
N7 C19 C22 O14 1.0(8) . .
C20 C19 C22 C23 1.7(8) . .
N7 C19 C22 C23 -179.0(5) . .
O14 C22 C23 C24 177.3(5) . .
C19 C22 C23 C24 -2.7(8) . .
O14 C22 C23 N11 -0.7(8) . .
C19 C22 C23 N11 179.3(5) . .
C22 C23 C24 C21 1.3(9) . .
N11 C23 C24 C21 179.3(6) . .
C20 C21 C24 C23 1.3(9) . .
N1 C21 C24 C23 -178.6(5) . .
C29 C25 C27 C30 1.6(9) . .
N6 C25 C27 C30 -176.4(6) . .
C30 C26 C28 C29 -0.4(9) . .
C30 C26 C28 N8 179.7(5) . .
C26 C28 C29 O17 -178.0(5) . .
N8 C28 C29 O17 2.0(9) . .
C26 C28 C29 C25 2.9(8) . .
N8 C28 C29 C25 -177.2(5) . .
C27 C25 C29 O17 177.3(6) . .
N6 C25 C29 O17 -4.8(9) . .
C27 C25 C29 C28 -3.5(8) . .
N6 C25 C29 C28 174.4(5) . .
C25 C27 C30 C26 1.3(9) . .
C25 C27 C30 N5 -179.4(5) . .
C28 C26 C30 C27 -1.9(9) . .
C28 C26 C30 N5 178.8(5) . .
C61 C32 C33 C35 0.2(12) . .
C32 C33 C35 C36 -1.8(13) . .
C61 C34 C36 C35 -1.4(13) . .
C33 C35 C36 C34 2.5(14) . .
C39 C37 C38 C41 0.8(11) . .
C43 C37 C38 C41 -176.4(7) . .
C38 C37 C39 C42 0.4(11) . .
C43 C37 C39 C42 177.5(7) . .
C42 C40 C41 C38 0.2(17) . .
C37 C38 C41 C40 -1.1(14) . .
C41 C40 C42 C39 0.9(17) . .
C37 C39 C42 C40 -1.2(14) . .
C39 C37 C43 N3 45.9(8) . .
C38 C37 C43 N3 -137.0(6) . .
C16 C18 C46 O15 165.3(7) . .
C13 C18 C46 O15 -13.1(9) . .
C16 C18 C46 N2 -15.5(11) . .
C13 C18 C46 N2 166.0(6) . .
O1 C47 C48 N10 -92.4(8) . .
N2 C50 C51 C53 -80.7(9) . .
N2 C50 C51 C52 100.1(8) . .
C53 C51 C52 C58 0.8(13) . .
C50 C51 C52 C58 -180.0(9) . .
C52 C51 C53 C56 -1.1(11) . .
C50 C51 C53 C56 179.8(7) . .
C51 C53 C56 C57 0.7(14) . .
C53 C56 C57 C58 0(2) . .
C56 C57 C58 C52 0(3) . .
C51 C52 C58 C57 0(2) . .
N10 C55 C59 O2 -65.0(8) . .
C5 C3 C60 O2 179.2(6) . .
C5 C3 C60 C2 1.6(10) . .
C6 C2 C60 O2 -179.7(5) . .
C62 C2 C60 O2 -0.8(8) . .
C6 C2 C60 C3 -2.1(9) . .
C62 C2 C60 C3 176.9(5) . .
C33 C32 C61 C34 0.9(10) . .
C33 C32 C61 C63 179.7(6) . .
C36 C34 C61 C32 -0.2(10) . .
C36 C34 C61 C63 -179.0(7) . .
C6 C2 C62 O19 17.5(8) . .
C60 C2 C62 O19 -161.5(5) . .
C6 C2 C62 N3 -161.4(6) . .
C60 C2 C62 N3 19.7(9) . .
C32 C61 C63 N10 42.6(9) . .
C34 C61 C63 N10 -138.7(7) . .
C20 C21 N1 O25 -3.9(9) . .
C24 C21 N1 O25 176.0(6) . .
C20 C21 N1 O26 175.8(6) . .
C24 C21 N1 O26 -4.4(9) . .
O15 C46 N2 C50 -2.0(11) . .
C18 C46 N2 C50 178.8(7) . .
C51 C50 N2 C46 -154.0(7) . .
O19 C62 N3 C43 7.4(9) . .
C2 C62 N3 C43 -173.8(5) . .
C37 C43 N3 C62 -122.1(6) . .
C7 C11 N4 O8 178.0(7) . .
C12 C11 N4 O8 1.5(11) . .
C7 C11 N4 O7 1.4(11) . .
C12 C11 N4 O7 -175.0(7) . .
C27 C30 N5 O10 6.6(10) . .
C26 C30 N5 O10 -174.1(6) . .
C27 C30 N5 O9 -170.1(7) . .
C26 C30 N5 O9 9.2(10) . .
C27 C25 N6 O11 -0.4(10) . .
C29 C25 N6 O11 -178.4(8) . .
C27 C25 N6 O12 -178.5(8) . .
C29 C25 N6 O12 3.5(11) . .
C20 C19 N7 O13 157.3(5) . .
C22 C19 N7 O13 -22.0(8) . .
C20 C19 N7 O22 -20.9(8) . .
C22 C19 N7 O22 159.8(5) . .
C26 C28 N8 O18 165.9(5) . .
C29 C28 N8 O18 -14.1(8) . .
C26 C28 N8 O21 -12.1(8) . .
C29 C28 N8 O21 167.9(6) . .
C12 C9 N9 O24 5.2(9) . .
C10 C9 N9 O24 -174.0(6) . .
C12 C9 N9 O23 -176.1(6) . .
C10 C9 N9 O23 4.6(9) . .
C59 C55 N10 C63 -60.9(8) . .
C59 C55 N10 C48 173.2(6) . .
C61 C63 N10 C55 91.8(7) . .
C61 C63 N10 C48 -146.9(7) . .
C47 C48 N10 C55 177.9(6) . .
C47 C48 N10 C63 53.6(10) . .
C24 C23 N11 O4 86.7(9) . .
C22 C23 N11 O4 -95.2(8) . .
C24 C23 N11 O3 -93.9(8) . .
C22 C23 N11 O3 84.3(8) . .
C7 C8 N12 O6 -165.5(7) . .
C10 C8 N12 O6 15.5(9) . .
C7 C8 N12 O5 10.5(9) . .
C10 C8 N12 O5 -168.5(6) . .
C18 C16 O1 C47 173.7(7) . .
C15 C16 O1 C47 -8.4(11) . .
C48 C47 O1 C16 -169.4(7) . .
C3 C60 O2 C59 17.0(8) . .
C2 C60 O2 C59 -165.4(5) . .
C55 C59 O2 C60 158.0(5) . .
O22 N7 O13 Nd1 -155.5(4) . .
C19 N7 O13 Nd1 26.3(8) . .
O16 Nd1 O13 N7 83.5(6) . .
O14 Nd1 O13 N7 -9.1(5) . .
O17 Nd1 O13 N7 -145.9(5) . .
O15 Nd1 O13 N7 32.8(6) . .
O19 Nd1 O13 N7 -103.4(6) 1_545 .
O20 Nd1 O13 N7 171.8(6) . .
O18 Nd1 O13 N7 -56.5(6) . .
O23 Nd1 O13 N7 122.2(5) . .
C19 C22 O14 Nd1 23.7(9) . .
C23 C22 O14 Nd1 -156.3(4) . .
O16 Nd1 O14 C22 -89.4(6) . .
O17 Nd1 O14 C22 119.8(5) . .
O15 Nd1 O14 C22 -171.7(6) . .
O19 Nd1 O14 C22 52.6(6) 1_545 .
O20 Nd1 O14 C22 -16.7(6) . .
O13 Nd1 O14 C22 -17.9(5) . .
O18 Nd1 O14 C22 121.6(6) . .
O23 Nd1 O14 C22 -123.9(5) . .
N2 C46 O15 Nd1 109.9(7) . .
C18 C46 O15 Nd1 -70.9(9) . .
O16 Nd1 O15 C46 24.4(7) . .
O14 Nd1 O15 C46 109.8(7) . .
O17 Nd1 O15 C46 -108.8(7) . .
O19 Nd1 O15 C46 -173.5(6) 1_545 .
O20 Nd1 O15 C46 -46.7(7) . .
O13 Nd1 O15 C46 72.1(7) . .
O18 Nd1 O15 C46 -175.7(7) . .
O23 Nd1 O15 C46 -37.0(7) . .
C8 C10 O16 Nd1 164.6(6) . .
C9 C10 O16 Nd1 -16.0(13) . .
O14 Nd1 O16 C10 -138.9(9) . .
O17 Nd1 O16 C10 15.9(10) . .
O15 Nd1 O16 C10 -55.6(9) . .
O19 Nd1 O16 C10 144.8(9) 1_545 .
O20 Nd1 O16 C10 81.4(9) . .
O13 Nd1 O16 C10 155.2(9) . .
O18 Nd1 O16 C10 -86.0(9) . .
O23 Nd1 O16 C10 14.5(9) . .
C28 C29 O17 Nd1 38.7(9) . .
C25 C29 O17 Nd1 -142.2(5) . .
O16 Nd1 O17 C29 -178.6(5) . .
O14 Nd1 O17 C29 -38.4(7) . .
O15 Nd1 O17 C29 -107.1(6) . .
O19 Nd1 O17 C29 31.5(6) 1_545 .
O20 Nd1 O17 C29 113.3(6) . .
O13 Nd1 O17 C29 72.1(6) . .
O18 Nd1 O17 C29 -40.2(6) . .
O23 Nd1 O17 C29 -177.3(6) . .
O21 N8 O18 Nd1 170.7(5) . .
C28 N8 O18 Nd1 -7.3(9) . .
O16 Nd1 O18 N8 149.4(5) . .
O14 Nd1 O18 N8 -154.5(6) . .
O17 Nd1 O18 N8 24.2(6) . .
O15 Nd1 O18 N8 116.0(6) . .
O19 Nd1 O18 N8 -62.3(6) 1_545 .
O20 Nd1 O18 N8 -13.1(7) . .
O13 Nd1 O18 N8 -110.0(6) . .
O23 Nd1 O18 N8 71.3(6) . .
N3 C62 O19 Nd1 -94.1(10) . 1_565
C2 C62 O19 Nd1 87.1(11) . 1_565
C65 C64 O20 Nd1 114.1(8) . .
O16 Nd1 O20 C64 31.9(7) . .
O14 Nd1 O20 C64 -41.4(7) . .
O17 Nd1 O20 C64 166.5(7) . .
O15 Nd1 O20 C64 102.6(7) . .
O19 Nd1 O20 C64 -113.1(7) 1_545 .
O13 Nd1 O20 C64 -40.3(6) . .
O18 Nd1 O20 C64 -159.0(6) . .
O23 Nd1 O20 C64 92.7(7) . .
O24 N9 O23 Nd1 176.6(5) . .
C9 N9 O23 Nd1 -1.9(11) . .
O16 Nd1 O23 N9 -3.2(7) . .
O14 Nd1 O23 N9 37.2(8) . .
O17 Nd1 O23 N9 177.9(8) . .
O15 Nd1 O23 N9 89.3(8) . .
O19 Nd1 O23 N9 -137.7(7) 1_545 .
O20 Nd1 O23 N9 -98.3(8) . .
O13 Nd1 O23 N9 -46.1(8) . .
O18 Nd1 O23 N9 132.7(7) . .
