#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:09:21 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179033 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/31/4123147.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_4123147
loop_
_publ_author_name
'Peng, Jun-Bo'
'Kong, Xiang-Jian'
'Zhang, Qian-Chong'
'Orendáč, Martin'
'Prokleška, Jan'
'Ren, Yan-Ping'
'Long, La-Sheng'
'Zheng, Zhiping'
'Zheng, Lan-Sun'
_publ_section_title
;
 Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with
 104 Lanthanide Atoms.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              141218121523002
_journal_paper_doi               10.1021/ja5107749
_journal_year                    2014
_chemical_formula_sum            'C136 H936 Cl24 Nd104 O692'
_chemical_formula_weight         29500.61
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_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            2
_cell_length_a                   32.7640(12)
_cell_length_b                   32.7640(12)
_cell_length_c                   32.257(2)
_cell_measurement_reflns_used    5219
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.89
_cell_measurement_theta_min      2.33
_cell_volume                     34627(3)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        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      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area Detector'
_diffrn_measurement_method       'Omega scan'
_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  0.1865
_diffrn_reflns_av_sigmaI/netI    0.1199
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            127476
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    7.865
_exptl_absorpt_correction_T_max  0.5068
_exptl_absorpt_correction_T_min  0.3318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Violet
_exptl_crystal_density_diffrn    2.829
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             27872
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.159
_refine_diff_density_min         -2.624
_refine_diff_density_rms         0.454
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     943
_refine_ls_number_reflns         15556
_refine_ls_number_restraints     307
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1517
_refine_ls_R_factor_gt           0.1030
_refine_ls_shift/su_max          0.092
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0870P)²+8003.7715P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2193
_refine_ls_wR_factor_ref         0.2456
_reflns_number_gt                11254
_reflns_number_total             15556
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5107749_si_002.cif
_cod_data_source_block           Nd104-tetragonal
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi scan' changed to
'multi-scan' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      I4/m
_cod_database_code               4123147
#BEGIN Tags that were not found in dictionaries:
_platon_nd104-tetragonal_details
;
SQUEEZE removed 8 disordered ethanol moleculesa and 150 disordered 
water molecules per formula unit. This valueis calculated 
based upon elemental analysis data.
;
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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 0.92087(3) 0.02394(3) 0.18879(3) 0.0176(2) Uani 1 1 d .
Nd2 Nd 0.72917(5) 0.16433(5) 0.5000 0.0192(3) Uani 1 2 d S
Nd3 Nd 0.76062(3) 0.00365(3) 0.35221(3) 0.0182(2) Uani 1 1 d .
Nd4 Nd 0.68308(5) 0.00581(5) 0.5000 0.0199(4) Uani 1 2 d S
Nd5 Nd 0.87768(3) 0.10159(3) 0.26607(3) 0.0168(2) Uani 1 1 d .
Nd6 Nd 0.64994(4) -0.01360(4) 0.38847(3) 0.0272(3) Uani 1 1 d .
Nd7 Nd 0.79542(3) 0.12526(3) 0.35247(3) 0.0175(2) Uani 1 1 d .
Nd8 Nd 0.84267(3) -0.01906(3) 0.26537(3) 0.0181(2) Uani 1 1 d .
Nd9 Nd 0.81771(3) 0.20440(3) 0.43560(3) 0.0186(2) Uani 1 1 d .
Nd10 Nd 0.73765(3) -0.07661(3) 0.43632(3) 0.0182(2) Uani 1 1 d .
Nd11 Nd 0.91055(4) 0.16264(4) 0.36699(3) 0.0274(3) Uani 1 1 d .
Nd12 Nd 0.86379(3) -0.07447(3) 0.16172(3) 0.0237(3) Uani 1 1 d .
Nd13 Nd 0.70688(3) 0.20030(3) 0.61365(3) 0.0237(3) Uani 1 1 d .
Nd14 Nd 0.70622(3) 0.08567(3) 0.58403(3) 0.0204(3) Uani 1 1 d .
Cl1 Cl 0.85578(16) 0.26746(16) 0.28103(15) 0.0301(13) Uani 1 1 d .
Cl2 Cl 1.0000 0.0000 0.3275(3) 0.042(3) Uani 1 4 d S
Cl3 Cl 0.8367(3) 0.0478(3) 0.5000 0.040(2) Uani 1 2 d S
Cl4 Cl 0.76224(18) 0.0661(2) 0.14880(18) 0.112(4) Uani 1 1 d D
Cl5 Cl 0.5793(6) 0.1290(3) 0.5000 0.0561(8) Uani 0.50 2 d SPDU
C1 C 0.5803(9) 0.1328(12) 0.6465(12) 0.096(11) Uani 1 1 d U
H1B H 0.5726 0.1042 0.6429 0.144 Uiso 1 1 calc R
H1C H 0.5618 0.1502 0.6303 0.144 Uiso 1 1 calc R
H1D H 0.5782 0.1401 0.6759 0.144 Uiso 1 1 calc R
C2 C 0.6206(8) 0.1386(9) 0.6329(8) 0.054(7) Uani 1 1 d U
C3 C 0.7637(8) 0.1825(8) 0.2179(9) 0.062(9) Uani 1 1 d .
H3B H 0.7394 0.1931 0.2319 0.093 Uiso 1 1 calc R
H3C H 0.7555 0.1643 0.1953 0.093 Uiso 1 1 calc R
H3D H 0.7796 0.2053 0.2066 0.093 Uiso 1 1 calc R
C4 C 0.7897(5) 0.1590(5) 0.2488(5) 0.0162(8) Uani 1 1 d U
C5 C 0.8550(10) 0.0592(9) 0.0542(10) 0.082(10) Uani 1 1 d .
H5B H 0.8489 0.0300 0.0520 0.123 Uiso 1 1 calc R
H5C H 0.8722 0.0675 0.0308 0.123 Uiso 1 1 calc R
H5D H 0.8295 0.0747 0.0536 0.123 Uiso 1 1 calc R
C6 C 0.8772(7) 0.0673(9) 0.0943(7) 0.051(8) Uani 1 1 d .
C7 C 0.6562(9) -0.1888(8) 0.3843(7) 0.061(8) Uani 1 1 d .
H7B H 0.6347 -0.1688 0.3785 0.091 Uiso 1 1 calc R
H7C H 0.6459 -0.2094 0.4037 0.091 Uiso 1 1 calc R
H7D H 0.6645 -0.2021 0.3584 0.091 Uiso 1 1 calc R
C8 C 0.6919(6) -0.1677(6) 0.4030(6) 0.0190(8) Uani 1 1 d U
C9 C 0.6103(5) 0.2581(9) 0.5158(6) 0.072(6) Uani 0.50 1 d PDU
C10 C 0.6536(6) 0.2326(7) 0.5317(3) 0.049(6) Uani 0.50 1 d PDU
C11 C 0.7026(9) -0.0271(9) 0.2165(9) 0.0625(8) Uani 1 1 d U
H11B H 0.7145 -0.0352 0.1899 0.094 Uiso 1 1 calc R
H11C H 0.6864 -0.0022 0.2128 0.094 Uiso 1 1 calc R
H11D H 0.6850 -0.0490 0.2269 0.094 Uiso 1 1 calc R
C12 C 0.7369(6) -0.0189(6) 0.2478(6) 0.0272(8) Uani 1 1 d U
C13 C 0.8879(8) 0.0331(7) 0.3824(7) 0.047(7) Uani 1 1 d .
H13B H 0.8868 0.0043 0.3908 0.070 Uiso 1 1 calc R
H13C H 0.8822 0.0505 0.4064 0.070 Uiso 1 1 calc R
H13D H 0.9151 0.0393 0.3715 0.070 Uiso 1 1 calc R
C14 C 0.8585(6) 0.0402(6) 0.3514(6) 0.0227(8) Uani 1 1 d U
C15 C 0.9187(10) 0.1440(10) 0.5000 0.0385(8) Uani 1 2 d SU
C16 C 0.8996(8) 0.1807(8) 0.5000 0.0195(8) Uani 1 2 d SU
C17 C 0.5345(3) -0.025(2) 0.4804(10) 0.101(12) Uani 0.50 1 d PDU
C18 C 0.5772(6) -0.021(2) 0.4634(15) 0.1070(8) Uani 0.50 1 d PDU
O1 O 0.7783(4) 0.0643(4) 0.3915(4) 0.0156(8) Uani 1 1 d U
H1A H 0.7976 0.0587 0.4149 0.019 Uiso 1 1 calc R
O2 O 0.6851(4) 0.1492(4) 0.5565(4) 0.029(4) Uani 1 1 d .
H2A H 0.6554 0.1504 0.5494 0.034 Uiso 1 1 calc R
O3 O 0.7132(4) -0.0493(4) 0.3700(4) 0.0288(8) Uani 1 1 d U
H3A H 0.7096 -0.0705 0.3479 0.035 Uiso 1 1 calc R
O4 O 0.7833(4) 0.1950(4) 0.3706(4) 0.0182(8) Uani 1 1 d U
H4A H 0.7925 0.2146 0.3488 0.022 Uiso 1 1 calc R
O5 O 0.7504(6) -0.0373(6) 0.5000 0.0298(8) Uani 1 2 d SU
H5A H 0.7762 -0.0210 0.5000 0.036 Uiso 1 2 calc SR
O6 O 0.6532(4) 0.0407(4) 0.4426(4) 0.030(4) Uani 1 1 d .
H6A H 0.6266 0.0544 0.4486 0.036 Uiso 1 1 calc R
O7 O 0.7232(4) 0.1313(4) 0.6400(4) 0.0230(8) Uani 1 1 d U
H7A H 0.7082 0.1246 0.6662 0.028 Uiso 1 1 calc R
O8 O 0.8422(4) -0.0844(4) 0.2343(4) 0.0252(8) Uani 1 1 d U
H8A H 0.8153 -0.0986 0.2369 0.030 Uiso 1 1 calc R
O9 O 0.6943(4) 0.0372(4) 0.6412(4) 0.0254(8) Uani 1 1 d U
H9A H 0.6839 0.0499 0.6674 0.030 Uiso 1 1 calc R
O10 O 0.9301(4) -0.0372(4) 0.1489(4) 0.034(4) Uani 1 1 d .
H10A H 0.9376 -0.0331 0.1192 0.040 Uiso 1 1 calc R
O11 O 0.8987(4) 0.0304(4) 0.2663(4) 0.029(4) Uani 1 1 d .
H11A H 0.9208 0.0239 0.2867 0.034 Uiso 1 1 calc R
O12 O 0.8537(4) -0.0078(4) 0.1912(4) 0.021(3) Uani 1 1 d .
H12A H 0.8317 0.0085 0.1774 0.025 Uiso 1 1 calc R
O13 O 0.7461(4) 0.2160(4) 0.4502(4) 0.0162(8) Uani 1 1 d U
H13A H 0.7407 0.2441 0.4608 0.019 Uiso 1 1 calc R
O14 O 0.9456(4) 0.2031(4) 0.3165(4) 0.0268(8) Uani 1 1 d U
H14A H 0.9268 0.2227 0.3024 0.032 Uiso 1 1 calc R
O15 O 0.6707(4) -0.0483(4) 0.4510(4) 0.0257(8) Uani 1 1 d U
H15A H 0.6505 -0.0690 0.4609 0.031 Uiso 1 1 calc R
O16 O 0.8813(4) 0.0858(4) 0.1929(4) 0.0256(8) Uani 1 1 d U
H16A H 0.8540 0.0838 0.1793 0.031 Uiso 1 1 calc R
O17 O 0.8569(4) 0.1558(4) 0.3179(4) 0.0291(8) Uani 1 1 d U
H17A H 0.8504 0.1823 0.3040 0.035 Uiso 1 1 calc R
O18 O 0.8470(4) 0.1427(4) 0.4046(4) 0.0292(8) Uani 1 1 d U
H18A H 0.8516 0.1204 0.4252 0.035 Uiso 1 1 calc R
O19 O 0.8760(4) 0.2242(4) 0.3894(4) 0.0218(8) Uani 1 1 d U
H19G H 0.8668 0.2413 0.3654 0.026 Uiso 1 1 calc R
O20 O 0.8842(4) -0.0632(4) 0.3125(5) 0.036(4) Uani 1 1 d .
H20A H 0.9093 -0.0496 0.3236 0.043 Uiso 1 1 calc R
O21 O 0.7952(4) -0.0383(4) 0.4053(4) 0.030(4) Uani 1 1 d .
H21A H 0.8111 -0.0220 0.4259 0.035 Uiso 1 1 calc R
O22 O 0.8087(6) 0.1682(5) 0.5000 0.022(5) Uani 1 2 d S
H22A H 0.8219 0.1407 0.5000 0.026 Uiso 1 2 calc SR
O23 O 0.7260(5) 0.0117(5) 0.5677(4) 0.041(4) Uani 1 1 d .
O24 O 0.7639(4) 0.1373(4) 0.5666(4) 0.030(4) Uani 1 1 d .
O25 O 1.0000 0.0000 0.2044(7) 0.0170(8) Uani 1 4 d SU
O26 O 0.9551(4) 0.0823(4) 0.2294(4) 0.026(3) Uani 1 1 d .
O27 O 0.7226(6) 0.0812(6) 0.5000 0.030(5) Uani 1 2 d S
O28 O 0.6390(5) 0.1728(5) 0.6350(5) 0.0415(8) Uani 1 1 d U
O29 O 0.6380(4) 0.1054(4) 0.6202(4) 0.0258(8) Uani 1 1 d U
O30 O 0.7743(4) 0.1526(4) 0.2838(4) 0.020(3) Uani 1 1 d .
O31 O 0.8222(4) 0.1433(4) 0.2338(4) 0.029(4) Uani 1 1 d .
O32 O 0.8891(4) 0.1060(5) 0.1037(5) 0.037(4) Uani 1 1 d .
O33 O 0.8863(5) 0.0366(5) 0.1179(4) 0.035(4) Uani 1 1 d .
O34 O 0.7232(4) -0.1903(4) 0.4128(4) 0.031(4) Uani 1 1 d .
O35 O 0.6912(5) -0.1309(4) 0.4117(5) 0.036(4) Uani 1 1 d .
O36 O 0.6695(5) 0.2194(6) 0.5000 0.037(6) Uani 1 2 d SD
O37 O 0.6561(4) 0.2388(5) 0.5690(3) 0.049(5) Uani 1 1 d D
O38 O 0.7723(4) -0.0215(4) 0.2366(4) 0.029(4) Uani 1 1 d .
O39 O 0.7264(4) -0.0089(4) 0.2842(4) 0.025(3) Uani 1 1 d .
O40 O 0.8361(4) 0.0124(4) 0.3370(4) 0.0246(8) Uani 1 1 d U
O41 O 0.8548(4) 0.0783(4) 0.3365(4) 0.0271(8) Uani 1 1 d U
O42 O 0.8889(4) 0.2002(4) 0.4652(4) 0.0287(8) Uani 1 1 d U
O43 O 0.5845(5) -0.0206(5) 0.4260(5) 0.053(5) Uani 1 1 d .
O44 O 0.6062(7) -0.0085(7) 0.5000 0.044(7) Uani 1 2 d S
O45 O 0.8426(5) 0.2985(4) 0.2561(5) 0.039(4) Uani 1 1 d .
O46 O 0.8813(9) 0.2807(9) 0.3111(9) 0.162(11) Uani 1 1 d .
O47 O 0.8237(13) 0.2430(13) 0.2938(13) 0.1778(8) Uani 1 1 d U
O48 O 0.8782(14) 0.2406(14) 0.2600(15) 0.2005(8) Uani 1 1 d U
O49 O 1.0190(14) -0.0363(13) 0.3132(13) 0.1319(8) Uani 0.75 1 d PU
O50 O 1.0000 0.0000 0.368(3) 0.2160(8) Uani 1 4 d SU
O51 O 0.813(5) 0.019(5) 0.521(6) 0.4554(8) Uani 0.50 1 d PU
O52 O 0.8742(15) 0.031(2) 0.5000 0.29(4) Uani 1 2 d S
O53 O 0.8018(2) 0.0623(6) 0.1673(4) 0.147(13) Uani 1 1 d D
O54 O 0.7630(7) 0.0984(3) 0.1185(4) 0.4262(8) Uani 1 1 d DU
O55 O 0.7514(6) 0.0284(3) 0.1286(5) 0.5895(8) Uani 1 1 d DU
O56 O 0.7327(3) 0.0755(6) 0.1804(4) 0.29(3) Uani 1 1 d D
O57 O 0.576(3) 0.0852(4) 0.5000 0.200(8) Uani 0.50 2 d SPDU
O58 O 0.5355(11) 0.1332(11) 0.5000 0.0232(8) Uani 0.50 2 d SPU
O59 O 0.5932(10) 0.1518(10) 0.5368(10) 0.046(6) Uani 0.50 1 d PU
O1W O 0.6012(4) 0.0390(5) 0.3602(4) 0.039(4) Uani 1 1 d .
O2W O 0.8184(6) 0.2496(6) 0.5000 0.024(5) Uani 1 2 d S
O3W O 0.9376(10) 0.1138(8) 0.4111(9) 0.143(12) Uani 1 1 d .
O4W O 0.6482(5) -0.0253(5) 0.3097(5) 0.0388(8) Uani 1 1 d U
O5W O 0.6286(5) -0.0877(5) 0.3764(5) 0.047(5) Uani 1 1 d .
O6W O 0.7174(4) 0.2054(4) 0.6904(4) 0.0226(8) Uani 1 1 d U
O7W O 0.7680(4) 0.0676(4) 0.3086(4) 0.024(3) Uani 1 1 d .
O8W O 0.7317(5) 0.2721(5) 0.6193(4) 0.036(4) Uani 1 1 d .
O9W O 0.7152(6) -0.1150(7) 0.5000 0.033(6) Uani 1 2 d S
O10W O 0.6555(5) 0.2507(5) 0.6566(5) 0.0412(8) Uani 1 1 d U
O11W O 0.8327(4) -0.1462(4) 0.1618(4) 0.027(4) Uani 1 1 d .
O12W O 0.8509(4) -0.0304(5) 0.0996(4) 0.037(4) Uani 1 1 d .
O13W O 0.7883(5) -0.0642(5) 0.1631(4) 0.044(4) Uani 1 1 d .
O14W O 0.8189(4) 0.0531(4) 0.2558(4) 0.0237(8) Uani 1 1 d U
O15W O 0.9734(14) 0.0527(13) 0.4581(11) 0.205(19) Uani 1 1 d .
O60 O 0.8328(17) 0.0751(16) 0.5336(16) 0.244(7) Uani 1 1 d U
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'
O O 0.0106 0.0060 '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'
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
O10 Nd1 O10 99.5(7) . 4_665
O10 Nd1 O16 143.1(5) . .
O10 Nd1 O16 79.1(5) 4_665 .
O10 Nd1 O12 76.9(5) . .
O10 Nd1 O12 143.0(4) 4_665 .
O16 Nd1 O12 82.6(4) . .
O10 Nd1 O26 146.9(5) . .
O10 Nd1 O26 63.8(4) 4_665 .
O16 Nd1 O26 65.3(4) . .
O12 Nd1 O26 134.0(4) . .
O10 Nd1 O33 73.4(5) . .
O10 Nd1 O33 71.2(5) 4_665 .
O16 Nd1 O33 71.2(5) . .
O12 Nd1 O33 72.5(4) . .
O26 Nd1 O33 121.5(4) . .
O10 Nd1 O26 63.4(4) . 3_645
O10 Nd1 O26 146.2(5) 4_665 3_645
O16 Nd1 O26 132.6(4) . 3_645
O12 Nd1 O26 65.1(4) . 3_645
O26 Nd1 O26 113.7(6) . 3_645
O33 Nd1 O26 124.4(4) . 3_645
O10 Nd1 O11 128.0(5) . .
O10 Nd1 O11 128.2(5) 4_665 .
O16 Nd1 O11 74.3(4) . .
O12 Nd1 O11 75.7(4) . .
O26 Nd1 O11 64.8(4) . .
O33 Nd1 O11 135.3(4) . .
O26 Nd1 O11 65.0(4) 3_645 .
O10 Nd1 O25 75.0(5) . .
O10 Nd1 O25 74.9(5) 4_665 .
O16 Nd1 O25 137.4(3) . .
O12 Nd1 O25 136.3(3) . .
O26 Nd1 O25 73.0(4) . .
O33 Nd1 O25 128.3(6) . .
O26 Nd1 O25 72.5(4) 3_645 .
O11 Nd1 O25 96.3(6) . .
O10 Nd1 Nd12 133.1(3) . 4_665
O10 Nd1 Nd12 41.1(3) 4_665 4_665
O16 Nd1 Nd12 38.4(3) . 4_665
O12 Nd1 Nd12 117.3(3) . 4_665
O26 Nd1 Nd12 51.6(3) . 4_665
O33 Nd1 Nd12 70.0(3) . 4_665
O26 Nd1 Nd12 163.2(3) 3_645 4_665
O11 Nd1 Nd12 98.8(3) . 4_665
O25 Nd1 Nd12 106.31(10) . 4_665
O10 Nd1 Nd8 97.0(3) . .
O10 Nd1 Nd8 162.9(3) 4_665 .
O16 Nd1 Nd8 85.1(3) . .
O12 Nd1 Nd8 38.5(3) . .
O26 Nd1 Nd8 103.7(3) . .
O33 Nd1 Nd8 109.6(3) . .
O26 Nd1 Nd8 48.0(3) 3_645 .
O11 Nd1 Nd8 39.3(3) . .
O25 Nd1 Nd8 114.0(4) . .
Nd12 Nd1 Nd8 122.26(3) 4_665 .
O10 Nd1 Nd12 40.2(4) . .
O10 Nd1 Nd12 133.1(3) 4_665 .
O16 Nd1 Nd12 117.3(3) . .
O12 Nd1 Nd12 37.5(3) . .
O26 Nd1 Nd12 162.6(3) . .
O33 Nd1 Nd12 73.7(3) . .
O26 Nd1 Nd12 50.8(3) 3_645 .
O11 Nd1 Nd12 98.7(3) . .
O25 Nd1 Nd12 105.16(10) . .
Nd12 Nd1 Nd12 141.80(4) 4_665 .
Nd8 Nd1 Nd12 60.67(3) . .
O2 Nd2 O2 100.1(7) 10_556 .
O2 Nd2 O13 143.2(4) 10_556 10_556
O2 Nd2 O13 77.0(4) . 10_556
O2 Nd2 O13 77.0(4) 10_556 .
O2 Nd2 O13 143.2(4) . .
O13 Nd2 O13 84.1(6) 10_556 .
O2 Nd2 O24 63.8(4) 10_556 10_556
O2 Nd2 O24 146.4(5) . 10_556
O13 Nd2 O24 134.1(4) 10_556 10_556
O13 Nd2 O24 65.4(4) . 10_556
O2 Nd2 O24 146.4(5) 10_556 .
O2 Nd2 O24 63.8(4) . .
O13 Nd2 O24 65.4(4) 10_556 .
O13 Nd2 O24 134.1(4) . .
O24 Nd2 O24 112.3(6) 10_556 .
O2 Nd2 O22 128.1(3) 10_556 .
O2 Nd2 O22 128.1(3) . .
O13 Nd2 O22 74.6(4) 10_556 .
O13 Nd2 O22 74.6(4) . .
O24 Nd2 O22 65.0(3) 10_556 .
O24 Nd2 O22 65.0(3) . .
O2 Nd2 O36 72.2(4) 10_556 .
O2 Nd2 O36 72.2(4) . .
O13 Nd2 O36 72.0(4) 10_556 .
O13 Nd2 O36 72.0(4) . .
O24 Nd2 O36 123.7(3) 10_556 .
O24 Nd2 O36 123.7(3) . .
O22 Nd2 O36 134.5(6) . .
O2 Nd2 O27 75.2(4) 10_556 .
O2 Nd2 O27 75.2(4) . .
O13 Nd2 O27 136.2(3) 10_556 .
O13 Nd2 O27 136.2(3) . .
O24 Nd2 O27 72.2(4) 10_556 .
O24 Nd2 O27 72.2(4) . .
O22 Nd2 O27 97.4(6) . .
O36 Nd2 O27 128.2(6) . .
O2 Nd2 Nd9 162.6(3) 10_556 10_556
O2 Nd2 Nd9 96.7(3) . 10_556
O13 Nd2 Nd9 38.2(3) 10_556 10_556
O13 Nd2 Nd9 86.9(3) . 10_556
O24 Nd2 Nd9 103.7(3) 10_556 10_556
O24 Nd2 Nd9 47.8(3) . 10_556
O22 Nd2 Nd9 38.83(19) . 10_556
O36 Nd2 Nd9 109.0(3) . 10_556
O27 Nd2 Nd9 113.9(3) . 10_556
O2 Nd2 Nd9 96.7(3) 10_556 .
O2 Nd2 Nd9 162.6(3) . .
O13 Nd2 Nd9 86.9(3) 10_556 .
O13 Nd2 Nd9 38.2(3) . .
O24 Nd2 Nd9 47.8(3) 10_556 .
O24 Nd2 Nd9 103.7(3) . .
O22 Nd2 Nd9 38.83(19) . .
O36 Nd2 Nd9 109.0(3) . .
O27 Nd2 Nd9 113.9(3) . .
Nd9 Nd2 Nd9 66.24(4) 10_556 .
O2 Nd2 Nd14 36.4(3) 10_556 10_556
O2 Nd2 Nd14 106.5(3) . 10_556
O13 Nd2 Nd14 176.5(3) 10_556 10_556
O13 Nd2 Nd14 92.7(3) . 10_556
O24 Nd2 Nd14 42.7(3) 10_556 10_556
O24 Nd2 Nd14 116.5(3) . 10_556
O22 Nd2 Nd14 103.3(3) . 10_556
O36 Nd2 Nd14 108.3(3) . 10_556
O27 Nd2 Nd14 46.45(9) . 10_556
Nd9 Nd2 Nd14 140.52(5) 10_556 10_556
Nd9 Nd2 Nd14 89.74(3) . 10_556
O3 Nd3 O1 128.5(4) . .
O3 Nd3 O9 74.3(4) . 10_556
O1 Nd3 O9 78.4(4) . 10_556
O3 Nd3 O21 74.3(5) . .
O1 Nd3 O21 89.1(4) . .
O9 Nd3 O21 126.7(4) 10_556 .
O3 Nd3 O39 78.4(4) . .
O1 Nd3 O39 134.5(4) . .
O9 Nd3 O39 75.6(4) 10_556 .
O21 Nd3 O39 136.3(5) . .
O3 Nd3 O14 82.5(4) . 3_645
O1 Nd3 O14 138.0(4) . 3_645
O9 Nd3 O14 142.9(4) 10_556 3_645
O21 Nd3 O14 71.4(4) . 3_645
O39 Nd3 O14 71.7(4) . 3_645
O3 Nd3 O7W 142.3(4) . .
O1 Nd3 O7W 65.9(4) . .
O9 Nd3 O7W 76.2(4) 10_556 .
O21 Nd3 O7W 143.2(4) . .
O39 Nd3 O7W 72.0(4) . .
O14 Nd3 O7W 109.0(4) 3_645 .
O3 Nd3 O40 139.4(4) . .
O1 Nd3 O40 77.0(4) . .
O9 Nd3 O40 146.3(4) 10_556 .
O21 Nd3 O40 75.5(4) . .
O39 Nd3 O40 106.7(4) . .
O14 Nd3 O40 62.5(4) 3_645 .
O7W Nd3 O40 73.0(4) . .
O3 Nd3 O23 65.8(5) . 10_556
O1 Nd3 O23 62.8(4) . 10_556
O9 Nd3 O23 61.6(4) 10_556 10_556
O21 Nd3 O23 66.6(4) . 10_556
O39 Nd3 O23 129.5(4) . 10_556
O14 Nd3 O23 132.5(5) 3_645 10_556
O7W Nd3 O23 117.9(4) . 10_556
O40 Nd3 O23 123.7(4) . 10_556
O3 Nd3 Nd14 94.5(3) . 10_556
O1 Nd3 Nd14 41.9(3) . 10_556
O9 Nd3 Nd14 39.0(3) 10_556 10_556
O21 Nd3 Nd14 103.4(3) . 10_556
O39 Nd3 Nd14 112.3(3) . 10_556
O14 Nd3 Nd14 174.5(3) 3_645 10_556
O7W Nd3 Nd14 76.3(3) . 10_556
O40 Nd3 Nd14 118.6(3) . 10_556
O23 Nd3 Nd14 42.1(3) 10_556 10_556
O3 Nd3 Nd6 37.9(3) . .
O1 Nd3 Nd6 100.8(3) . .
O9 Nd3 Nd6 37.1(3) 10_556 .
O21 Nd3 Nd6 98.0(3) . .
O39 Nd3 Nd6 79.6(3) . .
O14 Nd3 Nd6 118.2(3) 3_645 .
O7W Nd3 Nd6 112.3(3) . .
O40 Nd3 Nd6 173.1(3) . .
O23 Nd3 Nd6 50.2(3) 10_556 .
Nd14 Nd3 Nd6 60.07(3) 10_556 .
O3 Nd3 Nd10 38.0(3) . .
O1 Nd3 Nd10 103.8(3) . .
O9 Nd3 Nd10 94.2(3) 10_556 .
O21 Nd3 Nd10 38.9(3) . .
O39 Nd3 Nd10 114.7(3) . .
O14 Nd3 Nd10 84.2(3) 3_645 .
O7W Nd3 Nd10 166.8(3) . .
O40 Nd3 Nd10 113.8(3) . .
O23 Nd3 Nd10 48.9(3) 10_556 .
Nd14 Nd3 Nd10 90.56(3) 10_556 .
Nd6 Nd3 Nd10 60.14(3) . .
O6 Nd4 O6 101.8(7) . 10_556
O6 Nd4 O15 77.0(5) . .
O6 Nd4 O15 142.4(5) 10_556 .
O6 Nd4 O15 142.4(5) . 10_556
O6 Nd4 O15 77.0(5) 10_556 10_556
O15 Nd4 O15 82.0(6) . 10_556
O6 Nd4 O44 71.6(4) . .
O6 Nd4 O44 71.6(4) 10_556 .
O15 Nd4 O44 72.5(5) . .
O15 Nd4 O44 72.5(5) 10_556 .
O6 Nd4 O23 146.8(5) . .
O6 Nd4 O23 62.3(5) 10_556 .
O15 Nd4 O23 134.1(5) . .
O15 Nd4 O23 66.1(5) 10_556 .
O44 Nd4 O23 123.0(3) . .
O6 Nd4 O23 62.3(5) . 10_556
O6 Nd4 O23 146.8(5) 10_556 10_556
O15 Nd4 O23 66.1(5) . 10_556
O15 Nd4 O23 134.1(5) 10_556 10_556
O44 Nd4 O23 123.0(3) . 10_556
O23 Nd4 O23 113.9(7) . 10_556
O6 Nd4 O5 127.1(3) . .
O6 Nd4 O5 127.1(3) 10_556 .
O15 Nd4 O5 75.3(4) . .
O15 Nd4 O5 75.3(4) 10_556 .
O44 Nd4 O5 136.8(7) . .
O23 Nd4 O5 65.5(4) . .
O23 Nd4 O5 65.5(4) 10_556 .
O6 Nd4 O27 76.4(4) . .
O6 Nd4 O27 76.4(4) 10_556 .
O15 Nd4 O27 136.9(3) . .
O15 Nd4 O27 136.9(3) 10_556 .
O44 Nd4 O27 128.2(7) . .
O23 Nd4 O27 71.6(4) . .
O23 Nd4 O27 71.6(4) 10_556 .
O5 Nd4 O27 95.0(6) . .
O6 Nd4 Nd6 39.7(3) . .
O6 Nd4 Nd6 134.1(3) 10_556 .
O15 Nd4 Nd6 37.8(3) . .
O15 Nd4 Nd6 116.6(3) 10_556 .
O44 Nd4 Nd6 71.90(7) . .
O23 Nd4 Nd6 163.2(3) . .
O23 Nd4 Nd6 51.3(3) 10_556 .
O5 Nd4 Nd6 98.63(13) . .
O27 Nd4 Nd6 106.26(8) . .
O6 Nd4 Nd6 134.1(3) . 10_556
O6 Nd4 Nd6 39.7(3) 10_556 10_556
O15 Nd4 Nd6 116.6(3) . 10_556
O15 Nd4 Nd6 37.8(3) 10_556 10_556
O44 Nd4 Nd6 71.90(7) . 10_556
O23 Nd4 Nd6 51.3(3) . 10_556
O23 Nd4 Nd6 163.2(3) 10_556 10_556
O5 Nd4 Nd6 98.63(13) . 10_556
O27 Nd4 Nd6 106.26(8) . 10_556
Nd6 Nd4 Nd6 141.45(6) . 10_556
O6 Nd4 Nd10 160.8(3) . 10_556
O6 Nd4 Nd10 96.5(3) 10_556 10_556
O15 Nd4 Nd10 85.0(3) . 10_556
O15 Nd4 Nd10 37.7(3) 10_556 10_556
O44 Nd4 Nd10 109.2(4) . 10_556
O23 Nd4 Nd10 49.6(4) . 10_556
O23 Nd4 Nd10 104.4(4) 10_556 10_556
O5 Nd4 Nd10 39.4(2) . 10_556
O27 Nd4 Nd10 114.0(3) . 10_556
Nd6 Nd4 Nd10 121.39(4) . 10_556
Nd6 Nd4 Nd10 60.64(3) 10_556 10_556
O16 Nd5 O11 77.5(4) . .
O16 Nd5 O8 74.2(4) . 4_665
O11 Nd5 O8 125.4(4) . 4_665
O16 Nd5 O20 126.0(5) . 4_665
O11 Nd5 O20 87.5(4) . 4_665
O8 Nd5 O20 73.5(4) 4_665 4_665
O16 Nd5 O31 75.3(4) . .
O11 Nd5 O31 136.9(4) . .
O8 Nd5 O31 77.5(4) 4_665 .
O20 Nd5 O31 135.5(4) 4_665 .
O16 Nd5 O41 146.4(4) . .
O11 Nd5 O41 77.9(4) . .
O8 Nd5 O41 139.4(4) 4_665 .
O20 Nd5 O41 75.2(4) 4_665 .
O31 Nd5 O41 109.0(4) . .
O16 Nd5 O14W 76.9(4) . .
O11 Nd5 O14W 67.2(4) . .
O8 Nd5 O14W 143.9(4) 4_665 .
O20 Nd5 O14W 142.3(4) 4_665 .
O31 Nd5 O14W 74.5(4) . .
O41 Nd5 O14W 72.5(4) . .
O16 Nd5 O17 143.8(4) . .
O11 Nd5 O17 138.3(4) . .
O8 Nd5 O17 83.4(4) 4_665 .
O20 Nd5 O17 71.4(5) 4_665 .
O31 Nd5 O17 72.3(4) . .
O41 Nd5 O17 62.3(4) . .
O14W Nd5 O17 108.9(4) . .
O16 Nd5 O26 60.5(4) . .
O11 Nd5 O26 62.6(4) . .
O8 Nd5 O26 62.9(4) 4_665 .
O20 Nd5 O26 66.5(4) 4_665 .
O31 Nd5 O26 126.3(4) . .
O41 Nd5 O26 124.7(4) . .
O14W Nd5 O26 118.9(4) . .
O17 Nd5 O26 131.6(4) . .
O16 Nd5 Nd1 37.4(3) . .
O11 Nd5 Nd1 42.3(3) . .
O8 Nd5 Nd1 92.3(3) 4_665 .
O20 Nd5 Nd1 103.1(3) 4_665 .
O31 Nd5 Nd1 111.1(3) . .
O41 Nd5 Nd1 119.8(3) . .
O14W Nd5 Nd1 77.2(3) . .
O17 Nd5 Nd1 173.8(3) . .
O26 Nd5 Nd1 42.2(3) . .
O16 Nd5 Nd8 93.0(3) . 4_665
O11 Nd5 Nd8 101.9(3) . 4_665
O8 Nd5 Nd8 36.2(3) 4_665 4_665
O20 Nd5 Nd8 39.7(3) 4_665 4_665
O31 Nd5 Nd8 112.2(3) . 4_665
O41 Nd5 Nd8 114.3(3) . 4_665
O14W Nd5 Nd8 166.4(3) . 4_665
O17 Nd5 Nd8 84.7(3) . 4_665
O26 Nd5 Nd8 47.5(3) . 4_665
Nd1 Nd5 Nd8 89.23(3) . 4_665
O16 Nd5 Nd12 36.6(3) . 4_665
O11 Nd5 Nd12 99.7(3) . 4_665
O8 Nd5 Nd12 38.0(3) 4_665 4_665
O20 Nd5 Nd12 98.8(3) 4_665 4_665
O31 Nd5 Nd12 76.9(3) . 4_665
O41 Nd5 Nd12 173.5(3) . 4_665
O14W Nd5 Nd12 112.3(3) . 4_665
O17 Nd5 Nd12 118.4(3) . 4_665
O26 Nd5 Nd12 49.5(3) . 4_665
Nd1 Nd5 Nd12 58.73(3) . 4_665
Nd8 Nd5 Nd12 60.05(3) 4_665 4_665
O9 Nd6 O15 119.2(4) 10_556 .
O9 Nd6 O3 73.9(4) 10_556 .
O15 Nd6 O3 75.0(4) . .
O9 Nd6 O43 141.4(5) 10_556 .
O15 Nd6 O43 78.0(5) . .
O3 Nd6 O43 143.8(5) . .
O9 Nd6 O6 76.1(4) 10_556 .
O15 Nd6 O6 74.9(4) . .
O3 Nd6 O6 118.3(4) . .
O43 Nd6 O6 76.2(5) . .
O9 Nd6 O1W 76.5(5) 10_556 .
O15 Nd6 O1W 143.4(5) . .
O3 Nd6 O1W 140.7(5) . .
O43 Nd6 O1W 72.0(5) . .
O6 Nd6 O1W 78.0(5) . .
O9 Nd6 O5W 139.5(5) 10_556 .
O15 Nd6 O5W 75.9(5) . .
O3 Nd6 O5W 75.0(5) . .
O43 Nd6 O5W 75.5(5) . .
O6 Nd6 O5W 142.8(5) . .
O1W Nd6 O5W 114.9(5) . .
O9 Nd6 O4W 74.0(5) 10_556 .
O15 Nd6 O4W 139.6(5) . .
O3 Nd6 O4W 73.0(5) . .
O43 Nd6 O4W 116.8(5) . .
O6 Nd6 O4W 143.0(5) . .
O1W Nd6 O4W 74.4(5) . .
O5W Nd6 O4W 72.6(5) . .
O9 Nd6 Nd4 95.1(3) 10_556 .
O15 Nd6 Nd4 37.8(3) . .
O3 Nd6 Nd4 94.0(3) . .
O43 Nd6 Nd4 78.5(4) . .
O6 Nd6 Nd4 37.7(3) . .
O1W Nd6 Nd4 114.0(3) . .
O5W Nd6 Nd4 112.4(4) . .
O4W Nd6 Nd4 164.7(3) . .
O9 Nd6 Nd14 38.5(3) 10_556 10_556
O15 Nd6 Nd14 94.1(3) . 10_556
O3 Nd6 Nd14 93.1(3) . 10_556
O43 Nd6 Nd14 112.4(4) . 10_556
O6 Nd6 Nd14 38.2(3) . 10_556
O1W Nd6 Nd14 79.0(4) . 10_556
O5W Nd6 Nd14 166.0(4) . 10_556
O4W Nd6 Nd14 111.4(3) . 10_556
Nd4 Nd6 Nd14 60.28(3) . 10_556
O9 Nd6 Nd3 37.8(3) 10_556 .
O15 Nd6 Nd3 93.3(3) . .
O3 Nd6 Nd3 37.0(3) . .
O43 Nd6 Nd3 168.1(4) . .
O6 Nd6 Nd3 93.9(3) . .
O1W Nd6 Nd3 112.7(3) . .
O5W Nd6 Nd3 110.5(4) . .
O4W Nd6 Nd3 75.1(3) . .
Nd4 Nd6 Nd3 89.66(4) . .
Nd14 Nd6 Nd3 59.61(3) 10_556 .
O9 Nd6 Nd10 94.5(3) 10_556 .
O15 Nd6 Nd10 37.3(3) . .
O3 Nd6 Nd10 38.2(3) . .
O43 Nd6 Nd10 113.6(4) . .
O6 Nd6 Nd10 94.0(3) . .
O1W Nd6 Nd10 169.1(4) . .
O5W Nd6 Nd10 76.0(4) . .
O4W Nd6 Nd10 109.4(3) . .
Nd4 Nd6 Nd10 59.98(3) . .
Nd14 Nd6 Nd10 90.18(3) 10_556 .
Nd3 Nd6 Nd10 59.94(3) . .
O7 Nd7 O4 74.4(4) 10_556 .
O7 Nd7 O1 77.7(4) 10_556 .
O4 Nd7 O1 128.4(4) . .
O7 Nd7 O18 126.5(4) 10_556 .
O4 Nd7 O18 74.0(4) . .
O1 Nd7 O18 89.8(4) . .
O7 Nd7 O30 77.5(4) 10_556 .
O4 Nd7 O30 80.1(4) . .
O1 Nd7 O30 133.9(4) . .
O18 Nd7 O30 135.9(4) . .
O7 Nd7 O17 143.9(4) 10_556 .
O4 Nd7 O17 82.1(4) . .
O1 Nd7 O17 138.0(4) . .
O18 Nd7 O17 70.0(4) . .
O30 Nd7 O17 71.6(4) . .
O7 Nd7 O7W 76.4(4) 10_556 .
O4 Nd7 O7W 142.4(4) . .
O1 Nd7 O7W 66.0(4) . .
O18 Nd7 O7W 143.5(4) . .
O30 Nd7 O7W 70.8(4) . .
O17 Nd7 O7W 109.5(4) . .
O7 Nd7 O41 146.4(4) 10_556 .
O4 Nd7 O41 139.2(4) . .
O1 Nd7 O41 77.5(4) . .
O18 Nd7 O41 75.6(4) . .
O30 Nd7 O41 104.6(4) . .
O17 Nd7 O41 62.3(4) . .
O7W Nd7 O41 72.9(4) . .
O7 Nd7 O24 62.2(4) 10_556 10_556
O4 Nd7 O24 65.2(4) . 10_556
O1 Nd7 O24 63.5(4) . 10_556
O18 Nd7 O24 65.7(4) . 10_556
O30 Nd7 O24 131.9(4) . 10_556
O17 Nd7 O24 130.3(4) . 10_556
O7W Nd7 O24 119.4(4) . 10_556
O41 Nd7 O24 123.5(4) . 10_556
O7 Nd7 Nd14 37.9(3) 10_556 10_556
O4 Nd7 Nd14 93.8(3) . 10_556
O1 Nd7 Nd14 42.4(3) . 10_556
O18 Nd7 Nd14 103.9(3) . 10_556
O30 Nd7 Nd14 112.9(3) . 10_556
O17 Nd7 Nd14 173.4(3) . 10_556
O7W Nd7 Nd14 76.9(3) . 10_556
O41 Nd7 Nd14 119.6(3) . 10_556
O24 Nd7 Nd14 43.2(3) 10_556 10_556
O7 Nd7 Nd9 93.6(3) 10_556 .
O4 Nd7 Nd9 37.6(3) . .
O1 Nd7 Nd9 103.9(3) . .
O18 Nd7 Nd9 39.2(3) . .
O30 Nd7 Nd9 115.8(3) . .
O17 Nd7 Nd9 83.6(3) . .
O7W Nd7 Nd9 166.9(3) . .
O41 Nd7 Nd9 114.2(3) . .
O24 Nd7 Nd9 47.6(3) 10_556 .
Nd14 Nd7 Nd9 90.02(3) 10_556 .
O7 Nd7 Nd5 139.8(3) 10_556 .
O4 Nd7 Nd5 118.2(3) . .
O1 Nd7 Nd5 111.2(3) . .
O18 Nd7 Nd5 93.4(3) . .
O30 Nd7 Nd5 68.5(3) . .
O17 Nd7 Nd5 38.5(3) . .
O7W Nd7 Nd5 72.6(3) . .
O41 Nd7 Nd5 38.2(3) . .
O24 Nd7 Nd5 157.6(3) 10_556 .
Nd14 Nd7 Nd5 146.91(4) 10_556 .
Nd9 Nd7 Nd5 120.01(3) . .
O8 Nd8 O12 74.0(4) . .
O8 Nd8 O11 127.5(4) . .
O12 Nd8 O11 78.5(4) . .
O8 Nd8 O38 78.9(5) . .
O12 Nd8 O38 77.1(4) . .
O11 Nd8 O38 136.1(5) . .
O8 Nd8 O20 74.8(5) . .
O12 Nd8 O20 126.9(5) . .
O11 Nd8 O20 88.1(4) . .
O38 Nd8 O20 135.5(5) . .
O8 Nd8 O14W 143.1(4) . .
O12 Nd8 O14W 77.5(4) . .
O11 Nd8 O14W 67.0(4) . .
O38 Nd8 O14W 72.3(4) . .
O20 Nd8 O14W 142.0(4) . .
O8 Nd8 O14 81.8(4) . 3_645
O12 Nd8 O14 143.1(4) . 3_645
O11 Nd8 O14 138.1(4) . 3_645
O38 Nd8 O14 71.1(4) . 3_645
O20 Nd8 O14 70.1(5) . 3_645
O14W Nd8 O14 109.3(4) . 3_645
O8 Nd8 O40 138.8(4) . .
O12 Nd8 O40 147.2(4) . .
O11 Nd8 O40 77.5(4) . .
O38 Nd8 O40 105.9(4) . .
O20 Nd8 O40 74.2(5) . .
O14W Nd8 O40 72.8(4) . .
O14 Nd8 O40 62.5(4) 3_645 .
O8 Nd8 O26 64.1(4) . 3_645
O12 Nd8 O26 61.3(4) . 3_645
O11 Nd8 O26 63.5(4) . 3_645
O38 Nd8 O26 129.8(4) . 3_645
O20 Nd8 O26 66.8(4) . 3_645
O14W Nd8 O26 119.8(4) . 3_645
O14 Nd8 O26 130.3(4) 3_645 3_645
O40 Nd8 O26 124.4(4) . 3_645
O8 Nd8 Nd1 93.7(3) . .
O12 Nd8 Nd1 38.3(3) . .
O11 Nd8 Nd1 42.5(3) . .
O38 Nd8 Nd1 113.0(3) . .
O20 Nd8 Nd1 103.9(3) . .
O14W Nd8 Nd1 77.4(3) . .
O14 Nd8 Nd1 173.2(3) 3_645 .
O40 Nd8 Nd1 119.7(3) . .
O26 Nd8 Nd1 43.0(3) 3_645 .
O8 Nd8 Nd5 37.6(3) . 3_645
O12 Nd8 Nd5 93.9(3) . 3_645
O11 Nd8 Nd5 103.1(3) . 3_645
O38 Nd8 Nd5 114.5(3) . 3_645
O20 Nd8 Nd5 39.6(3) . 3_645
O14W Nd8 Nd5 167.8(3) . 3_645
O14 Nd8 Nd5 82.8(3) 3_645 3_645
O40 Nd8 Nd5 113.1(3) . 3_645
O26 Nd8 Nd5 48.0(3) 3_645 3_645
Nd1 Nd8 Nd5 90.56(3) . 3_645
O8 Nd8 Nd12 37.8(3) . .
O12 Nd8 Nd12 36.8(3) . .
O11 Nd8 Nd12 100.8(3) . .
O38 Nd8 Nd12 80.1(3) . .
O20 Nd8 Nd12 99.0(3) . .
O14W Nd8 Nd12 113.0(3) . .
O14 Nd8 Nd12 117.3(3) 3_645 .
O40 Nd8 Nd12 173.0(3) . .
O26 Nd8 Nd12 49.8(3) 3_645 .
Nd1 Nd8 Nd12 59.67(3) . .
Nd5 Nd8 Nd12 60.46(3) 3_645 .
O4 Nd9 O22 129.2(5) . .
O4 Nd9 O13 74.6(4) . .
O22 Nd9 O13 77.9(5) . .
O4 Nd9 O18 73.9(4) . .
O22 Nd9 O18 89.7(5) . .
O13 Nd9 O18 126.0(4) . .
O4 Nd9 O34 79.4(4) . 4_665
O22 Nd9 O34 135.0(5) . 4_665
O13 Nd9 O34 78.9(4) . 4_665
O18 Nd9 O34 134.8(4) . 4_665
O4 Nd9 O19 82.6(4) . .
O22 Nd9 O19 137.2(5) . .
O13 Nd9 O19 144.4(4) . .
O18 Nd9 O19 70.9(4) . .
O34 Nd9 O19 70.1(4) 4_665 .
O4 Nd9 O42 139.3(4) . .
O22 Nd9 O42 76.1(5) . .
O13 Nd9 O42 146.0(4) . .
O18 Nd9 O42 75.4(4) . .
O34 Nd9 O42 105.1(4) 4_665 .
O19 Nd9 O42 62.3(4) . .
O4 Nd9 O2W 142.1(5) . .
O22 Nd9 O2W 65.4(5) . .
O13 Nd9 O2W 76.0(5) . .
O18 Nd9 O2W 143.9(5) . .
O34 Nd9 O2W 71.9(5) 4_665 .
O19 Nd9 O2W 109.1(5) . .
O42 Nd9 O2W 73.5(5) . .
O4 Nd9 O24 65.4(4) . 10_556
O22 Nd9 O24 64.0(5) . 10_556
O13 Nd9 O24 61.4(4) . 10_556
O18 Nd9 O24 65.9(4) . 10_556
O34 Nd9 O24 131.9(4) 4_665 10_556
O19 Nd9 O24 131.5(4) . 10_556
O42 Nd9 O24 123.0(4) . 10_556
O2W Nd9 O24 118.6(5) . 10_556
O4 Nd9 Nd7 37.4(3) . .
O22 Nd9 Nd7 104.4(4) . .
O13 Nd9 Nd7 93.3(3) . .
O18 Nd9 Nd7 39.2(3) . .
O34 Nd9 Nd7 114.9(3) 4_665 .
O19 Nd9 Nd7 84.5(3) . .
O42 Nd9 Nd7 114.0(3) . .
O2W Nd9 Nd7 166.4(4) . .
O24 Nd9 Nd7 47.9(3) 10_556 .
O4 Nd9 Nd2 94.3(3) . .
O22 Nd9 Nd2 42.7(4) . .
O13 Nd9 Nd2 37.7(3) . .
O18 Nd9 Nd2 103.7(3) . .
O34 Nd9 Nd2 114.1(3) 4_665 .
O19 Nd9 Nd2 174.3(3) . .
O42 Nd9 Nd2 118.6(3) . .
O2W Nd9 Nd2 76.2(4) . .
O24 Nd9 Nd2 42.9(3) 10_556 .
Nd7 Nd9 Nd2 90.19(3) . .
O4 Nd9 Nd10 118.6(3) . 4_665
O22 Nd9 Nd10 109.8(4) . 4_665
O13 Nd9 Nd10 140.6(3) . 4_665
O18 Nd9 Nd10 93.2(3) . 4_665
O34 Nd9 Nd10 68.7(3) 4_665 4_665
O19 Nd9 Nd10 38.0(3) . 4_665
O42 Nd9 Nd10 38.2(3) . 4_665
O2W Nd9 Nd10 73.1(4) . 4_665
O24 Nd9 Nd10 157.5(3) 10_556 4_665
Nd7 Nd9 Nd10 120.04(3) . 4_665
Nd2 Nd9 Nd10 146.29(3) . 4_665
O15 Nd10 O3 74.7(4) . .
O15 Nd10 O5 78.0(6) . .
O3 Nd10 O5 126.4(5) . .
O15 Nd10 O35 77.3(5) . .
O3 Nd10 O35 77.3(5) . .
O5 Nd10 O35 138.6(5) . .
O15 Nd10 O21 125.0(5) . .
O3 Nd10 O21 73.3(4) . .
O5 Nd10 O21 86.7(5) . .
O35 Nd10 O21 134.7(5) . .
O15 Nd10 O19 143.7(4) . 3_645
O3 Nd10 O19 82.0(4) . 3_645
O5 Nd10 O19 138.1(5) . 3_645
O35 Nd10 O19 70.5(4) . 3_645
O21 Nd10 O19 71.9(4) . 3_645
O15 Nd10 O42 146.4(4) . 3_645
O3 Nd10 O42 138.9(4) . 3_645
O5 Nd10 O42 77.7(5) . 3_645
O35 Nd10 O42 107.1(5) . 3_645
O21 Nd10 O42 76.1(4) . 3_645
O19 Nd10 O42 62.6(4) 3_645 3_645
O15 Nd10 O9W 76.6(6) . .
O3 Nd10 O9W 142.9(5) . .
O5 Nd10 O9W 68.3(6) . .
O35 Nd10 O9W 73.9(5) . .
O21 Nd10 O9W 143.6(5) . .
O19 Nd10 O9W 109.2(6) 3_645 .
O42 Nd10 O9W 73.1(5) 3_645 .
O15 Nd10 O23 60.8(4) . 10_556
O3 Nd10 O23 63.8(4) . 10_556
O5 Nd10 O23 62.7(5) . 10_556
O35 Nd10 O23 128.2(5) . 10_556
O21 Nd10 O23 65.2(4) . 10_556
O19 Nd10 O23 130.8(4) 3_645 10_556
O42 Nd10 O23 124.7(4) 3_645 10_556
O9W Nd10 O23 119.5(5) . 10_556
O15 Nd10 Nd4 37.4(3) . .
O3 Nd10 Nd4 93.3(3) . .
O5 Nd10 Nd4 42.6(5) . .
O35 Nd10 Nd4 113.1(3) . .
O21 Nd10 Nd4 102.4(3) . .
O19 Nd10 Nd4 173.5(3) 3_645 .
O42 Nd10 Nd4 119.8(3) 3_645 .
O9W Nd10 Nd4 77.2(5) . .
O23 Nd10 Nd4 42.7(3) 10_556 .
O15 Nd10 Nd3 93.0(3) . .
O3 Nd10 Nd3 37.0(3) . .
O5 Nd10 Nd3 101.4(4) . .
O35 Nd10 Nd3 112.6(3) . .
O21 Nd10 Nd3 38.8(3) . .
O19 Nd10 Nd3 84.2(3) 3_645 .
O42 Nd10 Nd3 114.2(3) 3_645 .
O9W Nd10 Nd3 166.5(5) . .
O23 Nd10 Nd3 47.0(3) 10_556 .
Nd4 Nd10 Nd3 89.30(3) . .
O15 Nd10 Nd6 37.0(3) . .
O3 Nd10 Nd6 38.1(3) . .
O5 Nd10 Nd6 100.4(4) . .
O35 Nd10 Nd6 78.3(3) . .
O21 Nd10 Nd6 97.7(3) . .
O19 Nd10 Nd6 117.5(3) 3_645 .
O42 Nd10 Nd6 173.6(3) 3_645 .
O9W Nd10 Nd6 112.1(5) . .
O23 Nd10 Nd6 49.9(3) 10_556 .
Nd4 Nd10 Nd6 59.37(3) . .
Nd3 Nd10 Nd6 59.92(3) . .
O3W Nd11 O17 128.8(9) . .
O3W Nd11 O14 128.1(9) . .
O17 Nd11 O14 87.3(5) . .
O3W Nd11 O19 124.8(8) . .
O17 Nd11 O19 86.1(4) . .
O14 Nd11 O19 88.0(4) . .
O3W Nd11 O20 82.8(8) . 4_665
O17 Nd11 O20 74.1(5) . 4_665
O14 Nd11 O20 72.3(5) . 4_665
O19 Nd11 O20 152.4(4) . 4_665
O3W Nd11 O18 80.8(9) . .
O17 Nd11 O18 71.5(5) . .
O14 Nd11 O18 151.1(5) . .
O19 Nd11 O18 71.6(4) . .
O20 Nd11 O18 118.0(5) 4_665 .
O3W Nd11 O21 79.7(9) . 4_665
O17 Nd11 O21 151.4(5) . 4_665
O14 Nd11 O21 73.1(4) . 4_665
O19 Nd11 O21 72.9(4) . 4_665
O20 Nd11 O21 117.3(5) 4_665 4_665
O18 Nd11 O21 117.6(4) . 4_665
O3W Nd11 Nd5 105.0(8) . .
O17 Nd11 Nd5 37.3(3) . .
O14 Nd11 Nd5 81.5(3) . .
O19 Nd11 Nd5 122.5(3) . .
O20 Nd11 Nd5 37.2(3) 4_665 .
O18 Nd11 Nd5 92.3(3) . .
O21 Nd11 Nd5 150.0(3) 4_665 .
O3W Nd11 Nd10 100.5(8) . 4_665
O17 Nd11 Nd10 122.0(3) . 4_665
O14 Nd11 Nd10 82.9(3) . 4_665
O19 Nd11 Nd10 36.8(3) . 4_665
O20 Nd11 Nd10 150.1(3) 4_665 4_665
O18 Nd11 Nd10 91.7(3) . 4_665
O21 Nd11 Nd10 36.6(3) 4_665 4_665
Nd5 Nd11 Nd10 154.53(4) . 4_665
O3W Nd11 Nd3 102.5(8) . 4_665
O17 Nd11 Nd3 123.1(3) . 4_665
O14 Nd11 Nd3 37.0(3) . 4_665
O19 Nd11 Nd3 82.4(3) . 4_665
O20 Nd11 Nd3 92.3(3) 4_665 4_665
O18 Nd11 Nd3 149.6(3) . 4_665
O21 Nd11 Nd3 36.6(3) 4_665 4_665
Nd5 Nd11 Nd3 115.33(3) . 4_665
Nd10 Nd11 Nd3 57.87(3) 4_665 4_665
O3W Nd11 Nd7 102.8(8) . .
O17 Nd11 Nd7 36.4(3) . .
O14 Nd11 Nd7 122.9(3) . .
O19 Nd11 Nd7 81.3(3) . .
O20 Nd11 Nd7 93.1(3) 4_665 .
O18 Nd11 Nd7 35.8(3) . .
O21 Nd11 Nd7 149.4(3) 4_665 .
Nd5 Nd11 Nd7 59.54(3) . .
Nd10 Nd11 Nd7 114.67(3) 4_665 .
Nd3 Nd11 Nd7 154.59(4) 4_665 .
O3W Nd11 Nd9 100.8(8) . .
O17 Nd11 Nd9 80.8(3) . .
O14 Nd11 Nd9 123.5(3) . .
O19 Nd11 Nd9 36.5(3) . .
O20 Nd11 Nd9 149.8(3) 4_665 .
O18 Nd11 Nd9 35.6(3) . .
O21 Nd11 Nd9 92.7(3) 4_665 .
Nd5 Nd11 Nd9 114.80(3) . .
Nd10 Nd11 Nd9 59.29(3) 4_665 .
Nd3 Nd11 Nd9 115.63(4) 4_665 .
Nd7 Nd11 Nd9 56.76(3) . .
O12 Nd12 O16 118.3(4) . 3_645
O12 Nd12 O32 143.8(5) . 3_645
O16 Nd12 O32 75.4(5) 3_645 3_645
O12 Nd12 O8 72.9(4) . .
O16 Nd12 O8 73.8(4) 3_645 .
O32 Nd12 O8 141.5(5) 3_645 .
O12 Nd12 O13W 74.6(5) . .
O16 Nd12 O13W 138.6(5) 3_645 .
O32 Nd12 O13W 118.9(5) 3_645 .
O8 Nd12 O13W 73.6(5) . .
O12 Nd12 O12W 76.7(4) . .
O16 Nd12 O12W 142.6(5) 3_645 .
O32 Nd12 O12W 74.7(5) 3_645 .
O8 Nd12 O12W 141.9(4) . .
O13W Nd12 O12W 76.7(5) . .
O12 Nd12 O10 75.1(4) . .
O16 Nd12 O10 76.7(4) 3_645 .
O32 Nd12 O10 76.2(5) 3_645 .
O8 Nd12 O10 117.7(4) . .
O13W Nd12 O10 142.2(5) . .
O12W Nd12 O10 74.7(5) . .
O12 Nd12 O11W 141.1(4) . .
O16 Nd12 O11W 73.8(4) 3_645 .
O32 Nd12 O11W 73.2(5) 3_645 .
O8 Nd12 O11W 76.4(4) . .
O13W Nd12 O11W 74.3(5) . .
O12W Nd12 O11W 117.5(4) . .
O10 Nd12 O11W 141.8(5) . .
O12 Nd12 Nd1 94.5(3) . 3_645
O16 Nd12 Nd1 38.3(3) 3_645 3_645
O32 Nd12 Nd1 76.3(3) 3_645 3_645
O8 Nd12 Nd1 93.1(3) . 3_645
O13W Nd12 Nd1 164.7(3) . 3_645
O12W Nd12 Nd1 111.8(3) . 3_645
O10 Nd12 Nd1 38.8(3) . 3_645
O11W Nd12 Nd1 110.5(3) . 3_645
O12 Nd12 Nd1 38.0(3) . .
O16 Nd12 Nd1 94.4(3) 3_645 .
O32 Nd12 Nd1 113.0(4) 3_645 .
O8 Nd12 Nd1 92.0(3) . .
O13W Nd12 Nd1 111.5(4) . .
O12W Nd12 Nd1 77.3(4) . .
O10 Nd12 Nd1 37.8(3) . .
O11W Nd12 Nd1 165.2(3) . .
Nd1 Nd12 Nd1 60.43(3) 3_645 .
O12 Nd12 Nd8 37.6(3) . .
O16 Nd12 Nd8 92.5(3) 3_645 .
O32 Nd12 Nd8 165.8(3) 3_645 .
O8 Nd12 Nd8 35.9(3) . .
O13W Nd12 Nd8 75.2(3) . .
O12W Nd12 Nd8 113.0(3) . .
O10 Nd12 Nd8 93.9(3) . .
O11W Nd12 Nd8 111.0(3) . .
Nd1 Nd12 Nd8 89.62(3) 3_645 .
Nd1 Nd12 Nd8 59.66(3) . .
O12 Nd12 Nd5 93.7(3) . 3_645
O16 Nd12 Nd5 36.6(3) 3_645 3_645
O32 Nd12 Nd5 110.5(3) 3_645 3_645
O8 Nd12 Nd5 37.6(3) . 3_645
O13W Nd12 Nd5 109.1(3) . 3_645
O12W Nd12 Nd5 167.2(4) . 3_645
O10 Nd12 Nd5 94.9(3) . 3_645
O11W Nd12 Nd5 75.2(3) . 3_645
Nd1 Nd12 Nd5 59.98(3) 3_645 3_645
Nd1 Nd12 Nd5 89.98(3) . 3_645
Nd8 Nd12 Nd5 59.49(3) . 3_645
O7 Nd13 O13 111.3(4) . 10_556
O7 Nd13 O8W 140.0(5) . .
O13 Nd13 O8W 72.4(4) 10_556 .
O7 Nd13 O28 76.6(5) . .
O13 Nd13 O28 139.9(5) 10_556 .
O8W Nd13 O28 127.6(5) . .
O7 Nd13 O6W 72.0(4) . .
O13 Nd13 O6W 137.4(4) 10_556 .
O8W Nd13 O6W 79.6(4) . .
O28 Nd13 O6W 82.7(5) . .
O7 Nd13 O37 142.3(5) . .
O13 Nd13 O37 76.4(4) 10_556 .
O8W Nd13 O37 77.7(5) . .
O28 Nd13 O37 75.6(5) . .
O6W Nd13 O37 128.2(4) . .
O7 Nd13 O4 70.1(4) . 10_556
O13 Nd13 O4 70.9(4) 10_556 10_556
O8W Nd13 O4 74.4(4) . 10_556
O28 Nd13 O4 142.4(5) . 10_556
O6W Nd13 O4 71.0(4) . 10_556
O37 Nd13 O4 142.0(4) . 10_556
O7 Nd13 O2 73.4(4) . .
O13 Nd13 O2 71.7(4) 10_556 .
O8W Nd13 O2 138.7(4) . .
O28 Nd13 O2 73.6(5) . .
O6W Nd13 O2 141.7(4) . .
O37 Nd13 O2 74.7(4) . .
O4 Nd13 O2 111.5(4) 10_556 .
O7 Nd13 O10W 120.7(4) . .
O13 Nd13 O10W 127.9(4) 10_556 .
O8W Nd13 O10W 66.1(5) . .
O28 Nd13 O10W 61.9(5) . .
O6W Nd13 O10W 62.9(4) . .
O37 Nd13 O10W 65.4(4) . .
O4 Nd13 O10W 122.9(4) 10_556 .
O2 Nd13 O10W 125.5(4) . .
O7 Nd13 Nd14 36.9(3) . .
O13 Nd13 Nd14 89.9(3) 10_556 .
O8W Nd13 Nd14 159.0(3) . .
O28 Nd13 Nd14 73.4(4) . .
O6W Nd13 Nd14 108.0(3) . .
O37 Nd13 Nd14 109.8(3) . .
O4 Nd13 Nd14 89.3(3) 10_556 .
O2 Nd13 Nd14 36.5(3) . .
O10W Nd13 Nd14 135.0(3) . .
O7 Nd13 Nd2 90.4(3) . .
O13 Nd13 Nd2 35.8(3) 10_556 .
O8W Nd13 Nd2 106.9(3) . .
O28 Nd13 Nd2 108.4(4) . .
O6W Nd13 Nd2 156.8(3) . .
O37 Nd13 Nd2 75.0(3) . .
O4 Nd13 Nd2 89.0(3) 10_556 .
O2 Nd13 Nd2 36.1(3) . .
O10W Nd13 Nd2 140.3(3) . .
Nd14 Nd13 Nd2 58.60(3) . .
O7 Nd13 Nd7 34.8(3) . 10_556
O13 Nd13 Nd7 88.8(3) 10_556 10_556
O8W Nd13 Nd7 109.1(3) . 10_556
O28 Nd13 Nd7 110.7(4) . 10_556
O6W Nd13 Nd7 70.6(3) . 10_556
O37 Nd13 Nd7 161.2(3) . 10_556
O4 Nd13 Nd7 35.5(3) 10_556 10_556
O2 Nd13 Nd7 89.8(3) . 10_556
O10W Nd13 Nd7 133.4(3) . 10_556
Nd14 Nd13 Nd7 57.99(3) . 10_556
Nd2 Nd13 Nd7 86.27(3) . 10_556
O2 Nd14 O7 78.7(5) . .
O2 Nd14 O6 101.0(5) . 10_556
O7 Nd14 O6 143.5(4) . 10_556
O2 Nd14 O9 143.2(5) . .
O7 Nd14 O9 82.8(4) . .
O6 Nd14 O9 76.2(5) 10_556 .
O2 Nd14 O23 145.9(5) . .
O7 Nd14 O23 133.0(4) . .
O6 Nd14 O23 62.3(5) 10_556 .
O9 Nd14 O23 65.5(4) . .
O2 Nd14 O1 128.3(4) . 10_556
O7 Nd14 O1 74.2(4) . 10_556
O6 Nd14 O1 126.5(4) 10_556 10_556
O9 Nd14 O1 75.0(4) . 10_556
O23 Nd14 O1 64.9(4) . 10_556
O2 Nd14 O24 63.8(4) . .
O7 Nd14 O24 65.8(4) . .
O6 Nd14 O24 146.8(5) 10_556 .
O9 Nd14 O24 134.1(4) . .
O23 Nd14 O24 112.8(5) . .
O1 Nd14 O24 65.1(4) 10_556 .
O2 Nd14 O29 72.5(4) . .
O7 Nd14 O29 73.0(4) . .
O6 Nd14 O29 72.2(4) 10_556 .
O9 Nd14 O29 71.8(4) . .
O23 Nd14 O29 122.9(4) . .
O1 Nd14 O29 135.6(4) 10_556 .
O24 Nd14 O29 124.1(4) . .
O2 Nd14 O27 74.7(5) . .
O7 Nd14 O27 136.3(5) . .
O6 Nd14 O27 76.1(5) 10_556 .
O9 Nd14 O27 136.8(5) . .
O23 Nd14 O27 72.5(5) . .
O1 Nd14 O27 96.2(5) 10_556 .
O24 Nd14 O27 71.5(5) . .
O29 Nd14 O27 128.2(5) . .
O2 Nd14 Nd7 97.3(3) . 10_556
O7 Nd14 Nd7 37.5(3) . 10_556
O6 Nd14 Nd7 161.1(3) 10_556 10_556
O9 Nd14 Nd7 86.4(3) . 10_556
O23 Nd14 Nd7 103.9(3) . 10_556
O1 Nd14 Nd7 39.2(3) 10_556 10_556
O24 Nd14 Nd7 48.3(3) . 10_556
O29 Nd14 Nd7 109.5(3) . 10_556
O27 Nd14 Nd7 113.4(4) . 10_556
O2 Nd14 Nd2 36.6(3) . .
O7 Nd14 Nd2 93.9(3) . .
O6 Nd14 Nd2 107.4(3) 10_556 .
O9 Nd14 Nd2 176.4(3) . .
O23 Nd14 Nd2 116.3(3) . .
O1 Nd14 Nd2 102.7(3) 10_556 .
O24 Nd14 Nd2 42.5(3) . .
O29 Nd14 Nd2 108.7(3) . .
O27 Nd14 Nd2 45.7(4) . .
Nd7 Nd14 Nd2 90.05(3) 10_556 .
O2 Nd14 Nd3 163.0(3) . 10_556
O7 Nd14 Nd3 85.7(3) . 10_556
O6 Nd14 Nd3 95.6(3) 10_556 10_556
O9 Nd14 Nd3 38.6(3) . 10_556
O23 Nd14 Nd3 47.8(3) . 10_556
O1 Nd14 Nd3 38.8(3) 10_556 10_556
O24 Nd14 Nd3 103.6(3) . 10_556
O29 Nd14 Nd3 109.5(3) . 10_556
O27 Nd14 Nd3 113.5(4) . 10_556
Nd7 Nd14 Nd3 65.88(3) 10_556 10_556
Nd2 Nd14 Nd3 139.90(4) . 10_556
O48 Cl1 O46 104(2) . .
O48 Cl1 O45 112(2) . .
O46 Cl1 O45 112.3(14) . .
O48 Cl1 O47 101(3) . .
O46 Cl1 O47 116(2) . .
O45 Cl1 O47 111.4(19) . .
O50 Cl2 O49 108.9(18) . .
O50 Cl2 O49 108.9(18) . 4_665
O49 Cl2 O49 83.9(11) . 4_665
O50 Cl2 O49 108.9(18) . 3_645
O49 Cl2 O49 83.9(11) . 3_645
O49 Cl2 O49 142(4) 4_665 3_645
O50 Cl2 O49 108.9(18) . 2_755
O49 Cl2 O49 142(4) . 2_755
O49 Cl2 O49 83.9(11) 4_665 2_755
O49 Cl2 O49 83.9(11) 3_645 2_755
O52 Cl3 O51 104(7) . 10_556
O52 Cl3 O51 104(7) . .
O51 Cl3 O51 57(10) 10_556 .
O52 Cl3 O60 110(3) . .
O51 Cl3 O60 138(7) 10_556 .
O51 Cl3 O60 91(7) . .
O52 Cl3 O60 110(3) . 10_556
O51 Cl3 O60 91(7) 10_556 10_556
O51 Cl3 O60 138(7) . 10_556
O60 Cl3 O60 100(4) . 10_556
O53 Cl4 O56 109.4(8) . .
O53 Cl4 O55 109.7(10) . .
O56 Cl4 O55 109.7(10) . .
O53 Cl4 O54 109.4(10) . .
O56 Cl4 O54 109.5(10) . .
O55 Cl4 O54 109.1(8) . .
O57 Cl5 O58 91(4) . .
O57 Cl5 O59 122.2(18) . .
O58 Cl5 O59 105.0(17) . .
O57 Cl5 O59 122.2(18) . 10_556
O58 Cl5 O59 105.0(17) . 10_556
O59 Cl5 O59 107(3) . 10_556
C2 C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C2 C1 H1D 109.5 . .
H1B C1 H1D 109.5 . .
H1C C1 H1D 109.5 . .
O28 C2 O29 123(2) . .
O28 C2 C1 123(3) . .
O29 C2 C1 113(3) . .
C4 C3 H3B 109.5 . .
C4 C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C4 C3 H3D 109.5 . .
H3B C3 H3D 109.5 . .
H3C C3 H3D 109.5 . .
O30 C4 O31 127.5(17) . .
O30 C4 C3 116.8(18) . .
O31 C4 C3 114.9(18) . .
C6 C5 H5B 109.5 . .
C6 C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C6 C5 H5D 109.5 . .
H5B C5 H5D 109.5 . .
H5C C5 H5D 109.5 . .
O33 C6 O32 121.7(19) . .
O33 C6 C5 119(2) . .
O32 C6 C5 120(2) . .
C8 C7 H7B 109.5 . .
C8 C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C8 C7 H7D 109.5 . .
H7B C7 H7D 109.5 . .
H7C C7 H7D 109.5 . .
O35 C8 O34 120.9(17) . .
O35 C8 C7 122.0(19) . .
O34 C8 C7 116.9(18) . .
C9 C9 C10 107.3(7) 10_556 .
O37 C10 O36 148.2(17) . .
O37 C10 C9 105.5(12) . .
O36 C10 C9 105.9(10) . .
C12 C11 H11B 109.5 . .
C12 C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C12 C11 H11D 109.5 . .
H11B C11 H11D 109.5 . .
H11C C11 H11D 109.5 . .
O38 C12 O39 123.4(19) . .
O38 C12 C11 119(2) . .
O39 C12 C11 117.2(19) . .
C14 C13 H13B 109.5 . .
C14 C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C14 C13 H13D 109.5 . .
H13B C13 H13D 109.5 . .
H13C C13 H13D 109.5 . .
O40 C14 O41 119.4(17) . .
O40 C14 C13 122.6(19) . .
O41 C14 C13 117.9(18) . .
O42 C16 O42 114(2) . 10_556
O42 C16 C15 123.0(11) . .
O42 C16 C15 123.0(11) 10_556 .
C17 C17 C18 111(2) 10_556 .
O43 C18 C17 122(3) . .
O43 C18 O44 128(2) . .
C17 C18 O44 108(3) . .
Nd3 O1 Nd7 117.3(5) . .
Nd3 O1 Nd14 99.4(4) . 10_556
Nd7 O1 Nd14 98.4(4) . 10_556
Nd3 O1 H1A 113.3 . .
Nd7 O1 H1A 113.3 . .
Nd14 O1 H1A 113.3 10_556 .
Nd14 O2 Nd2 107.0(5) . .
Nd14 O2 Nd13 102.8(5) . .
Nd2 O2 Nd13 104.1(5) . .
Nd14 O2 H2A 114.0 . .
Nd2 O2 H2A 114.0 . .
Nd13 O2 H2A 114.0 . .
Nd3 O3 Nd6 105.1(5) . .
Nd3 O3 Nd10 105.1(5) . .
Nd6 O3 Nd10 103.7(5) . .
Nd3 O3 H3A 114.0 . .
Nd6 O3 H3A 114.0 . .
Nd10 O3 H3A 114.0 . .
Nd7 O4 Nd9 105.0(5) . .
Nd7 O4 Nd13 106.0(4) . 10_556
Nd9 O4 Nd13 106.1(4) . 10_556
Nd7 O4 H4A 113.0 . .
Nd9 O4 H4A 113.0 . .
Nd13 O4 H4A 113.0 10_556 .
Nd10 O5 Nd10 113.2(8) . 10_556
Nd10 O5 Nd4 98.0(5) . .
Nd10 O5 Nd4 98.0(5) 10_556 .
Nd10 O5 H5A 115.1 . .
Nd10 O5 H5A 115.1 10_556 .
Nd4 O5 H5A 115.1 . .
Nd4 O6 Nd14 105.7(5) . 10_556
Nd4 O6 Nd6 102.6(5) . .
Nd14 O6 Nd6 102.5(5) 10_556 .
Nd4 O6 H6A 114.8 . .
Nd14 O6 H6A 114.8 10_556 .
Nd6 O6 H6A 114.8 . .
Nd7 O7 Nd14 104.7(5) 10_556 .
Nd7 O7 Nd13 108.9(5) 10_556 .
Nd14 O7 Nd13 105.0(5) . .
Nd7 O7 H7A 112.6 10_556 .
Nd14 O7 H7A 112.6 . .
Nd13 O7 H7A 112.6 . .
Nd8 O8 Nd5 106.2(5) . 3_645
Nd8 O8 Nd12 106.3(5) . .
Nd5 O8 Nd12 104.4(5) 3_645 .
Nd8 O8 H8A 113.1 . .
Nd5 O8 H8A 113.1 3_645 .
Nd12 O8 H8A 113.1 . .
Nd6 O9 Nd3 105.1(5) 10_556 10_556
Nd6 O9 Nd14 104.0(5) 10_556 .
Nd3 O9 Nd14 102.4(5) 10_556 .
Nd6 O9 H9A 114.6 10_556 .
Nd3 O9 H9A 114.6 10_556 .
Nd14 O9 H9A 114.6 . .
Nd1 O10 Nd1 105.6(5) . 3_645
Nd1 O10 Nd12 102.0(5) . .
Nd1 O10 Nd12 100.1(5) 3_645 .
Nd1 O10 H10A 115.7 . .
Nd1 O10 H10A 115.7 3_645 .
Nd12 O10 H10A 115.7 . .
Nd5 O11 Nd8 115.0(5) . .
Nd5 O11 Nd1 98.8(5) . .
Nd8 O11 Nd1 98.2(5) . .
Nd5 O11 H11A 114.2 . .
Nd8 O11 H11A 114.2 . .
Nd1 O11 H11A 114.2 . .
Nd12 O12 Nd1 104.5(5) . .
Nd12 O12 Nd8 105.7(5) . .
Nd1 O12 Nd8 103.3(4) . .
Nd12 O12 H12A 114.1 . .
Nd1 O12 H12A 114.1 . .
Nd8 O12 H12A 114.1 . .
Nd2 O13 Nd9 104.1(4) . .
Nd2 O13 Nd13 106.9(4) . 10_556
Nd9 O13 Nd13 107.9(4) . 10_556
Nd2 O13 H13A 112.5 . .
Nd9 O13 H13A 112.5 . .
Nd13 O13 H13A 112.5 10_556 .
Nd11 O14 Nd8 109.7(5) . 4_665
Nd11 O14 Nd3 108.2(5) . 4_665
Nd8 O14 Nd3 103.5(5) 4_665 4_665
Nd11 O14 H14A 111.7 . .
Nd8 O14 H14A 111.7 4_665 .
Nd3 O14 H14A 111.7 4_665 .
Nd4 O15 Nd6 104.4(5) . .
Nd4 O15 Nd10 104.8(5) . .
Nd6 O15 Nd10 105.8(5) . .
Nd4 O15 H15A 113.6 . .
Nd6 O15 H15A 113.6 . .
Nd10 O15 H15A 113.6 . .
Nd1 O16 Nd12 103.2(5) . 4_665
Nd1 O16 Nd5 105.1(5) . .
Nd12 O16 Nd5 106.9(5) 4_665 .
Nd1 O16 H16A 113.6 . .
Nd12 O16 H16A 113.6 4_665 .
Nd5 O16 H16A 113.6 . .
Nd11 O17 Nd7 109.5(5) . .
Nd11 O17 Nd5 108.0(5) . .
Nd7 O17 Nd5 103.3(5) . .
Nd11 O17 H17A 111.9 . .
Nd7 O17 H17A 111.9 . .
Nd5 O17 H17A 111.9 . .
Nd7 O18 Nd9 101.6(5) . .
Nd7 O18 Nd11 107.7(5) . .
Nd9 O18 Nd11 108.0(5) . .
Nd7 O18 H18A 112.9 . .
Nd9 O18 H18A 112.9 . .
Nd11 O18 H18A 112.9 . .
Nd11 O19 Nd10 107.8(5) . 4_665
Nd11 O19 Nd9 108.5(5) . .
Nd10 O19 Nd9 104.0(5) 4_665 .
Nd11 O19 H19G 112.0 . .
Nd10 O19 H19G 112.0 4_665 .
Nd9 O19 H19G 112.0 . .
Nd11 O20 Nd5 105.7(5) 3_645 3_645
Nd11 O20 Nd8 107.0(5) 3_645 .
Nd5 O20 Nd8 100.7(5) 3_645 .
Nd11 O20 H20A 114.1 3_645 .
Nd5 O20 H20A 114.1 3_645 .
Nd8 O20 H20A 114.1 . .
Nd3 O21 Nd10 102.3(5) . .
Nd3 O21 Nd11 106.4(5) . 3_645
Nd10 O21 Nd11 106.4(5) . 3_645
Nd3 O21 H21A 113.6 . .
Nd10 O21 H21A 113.6 . .
Nd11 O21 H21A 113.6 3_645 .
Nd9 O22 Nd9 119.1(7) 10_556 .
Nd9 O22 Nd2 98.4(5) 10_556 .
Nd9 O22 Nd2 98.4(5) . .
Nd9 O22 H22A 112.9 10_556 .
Nd9 O22 H22A 112.9 . .
Nd2 O22 H22A 112.9 . .
Nd14 O23 Nd4 96.1(5) . .
Nd14 O23 Nd3 90.1(5) . 10_556
Nd4 O23 Nd3 166.8(7) . 10_556
Nd14 O23 Nd10 168.1(6) . 10_556
Nd4 O23 Nd10 87.7(5) . 10_556
Nd3 O23 Nd10 84.0(4) 10_556 10_556
Nd2 O24 Nd14 94.7(4) . .
Nd2 O24 Nd9 89.3(4) . 10_556
Nd14 O24 Nd9 165.6(6) . 10_556
Nd2 O24 Nd7 166.6(6) . 10_556
Nd14 O24 Nd7 88.6(4) . 10_556
Nd9 O24 Nd7 84.5(4) 10_556 10_556
Nd1 O25 Nd1 88.09(17) 3_645 2_755
Nd1 O25 Nd1 88.09(17) 3_645 .
Nd1 O25 Nd1 159.0(10) 2_755 .
Nd1 O25 Nd1 159.0(10) 3_645 4_665
Nd1 O25 Nd1 88.09(17) 2_755 4_665
Nd1 O25 Nd1 88.09(17) . 4_665
Nd1 O26 Nd1 95.2(4) . 4_665
Nd1 O26 Nd8 167.9(6) . 4_665
Nd1 O26 Nd8 89.0(4) 4_665 4_665
Nd1 O26 Nd5 89.3(4) . .
Nd1 O26 Nd5 168.3(5) 4_665 .
Nd8 O26 Nd5 84.5(4) 4_665 .
Nd2 O27 Nd14 87.8(4) . .
Nd2 O27 Nd14 87.8(4) . 10_556
Nd14 O27 Nd14 156.8(8) . 10_556
Nd2 O27 Nd4 156.9(8) . .
Nd14 O27 Nd4 87.6(4) . .
Nd14 O27 Nd4 87.6(4) 10_556 .
C2 O28 Nd13 136.4(16) . .
C2 O29 Nd14 136.6(15) . .
C4 O30 Nd7 138.5(11) . .
C4 O31 Nd5 131.9(11) . .
C6 O32 Nd12 133.8(13) . 4_665
C6 O33 Nd1 138.1(15) . .
C8 O34 Nd9 139.3(12) . 3_645
C8 O35 Nd10 139.6(13) . .
C10 O36 C10 112.9(17) . 10_556
C10 O36 Nd2 123.5(9) . .
C10 O36 Nd2 123.5(9) 10_556 .
C10 O37 Nd13 121.3(13) . .
C12 O38 Nd8 140.4(13) . .
C12 O39 Nd3 137.3(13) . .
C14 O40 Nd3 125.4(12) . .
C14 O40 Nd8 125.4(12) . .
Nd3 O40 Nd8 102.3(5) . .
C14 O41 Nd5 125.3(11) . .
C14 O41 Nd7 124.1(11) . .
Nd5 O41 Nd7 103.2(5) . .
C16 O42 Nd10 125.5(14) . 4_665
C16 O42 Nd9 125.8(14) . .
Nd10 O42 Nd9 103.4(5) 4_665 .
C18 O43 Nd6 130.4(17) . .
C18 O44 C18 98(3) . 10_556
C18 O44 Nd4 130.0(12) . .
C18 O44 Nd4 130.0(12) 10_556 .
O51 O51 Cl3 62(7) 10_556 .
Nd9 O2W Nd9 109.1(7) 10_556 .
Nd7 O7W Nd3 109.9(5) . .
Nd10 O9W Nd10 109.3(8) 10_556 .
Nd8 O14W Nd5 109.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O10 2.399(15) .
Nd1 O10 2.410(14) 4_665
Nd1 O16 2.411(13) .
Nd1 O12 2.435(12) .
Nd1 O26 2.576(13) .
Nd1 O33 2.585(13) .
Nd1 O26 2.610(13) 3_645
Nd1 O11 2.612(13) .
Nd1 O25 2.755(4) .
Nd1 Nd12 3.7837(15) 4_665
Nd1 Nd8 3.8277(14) .
Nd1 Nd12 3.8282(15) .
Nd2 O2 2.379(14) 10_556
Nd2 O2 2.379(14) .
Nd2 O13 2.397(12) 10_556
Nd2 O13 2.397(12) .
Nd2 O24 2.588(14) 10_556
Nd2 O24 2.588(14) .
Nd2 O22 2.608(18) .
Nd2 O36 2.661(15) .
Nd2 O27 2.73(2) .
Nd2 Nd9 3.8021(16) 10_556
Nd2 Nd9 3.8021(16) .
Nd2 Nd14 3.8150(15) 10_556
Nd3 O3 2.399(14) .
Nd3 O1 2.426(12) .
Nd3 O9 2.443(13) 10_556
Nd3 O21 2.472(14) .
Nd3 O39 2.497(12) .
Nd3 O14 2.521(13) 3_645
Nd3 O7W 2.535(13) .
Nd3 O40 2.537(13) .
Nd3 O23 2.835(14) 10_556
Nd3 Nd14 3.8248(14) 10_556
Nd3 Nd6 3.8520(16) .
Nd3 Nd10 3.8527(14) .
Nd4 O6 2.388(13) .
Nd4 O6 2.388(13) 10_556
Nd4 O15 2.411(13) .
Nd4 O15 2.411(13) 10_556
Nd4 O44 2.56(2) .
Nd4 O23 2.603(14) .
Nd4 O23 2.603(14) 10_556
Nd4 O5 2.62(2) .
Nd4 O27 2.79(2) .
Nd4 Nd6 3.8111(12) .
Nd4 Nd6 3.8111(12) 10_556
Nd4 Nd10 3.8350(16) 10_556
Nd5 O16 2.418(13) .
Nd5 O11 2.432(14) .
Nd5 O8 2.445(13) 4_665
Nd5 O20 2.493(15) 4_665
Nd5 O31 2.502(14) .
Nd5 O41 2.511(13) .
Nd5 O14W 2.517(13) .
Nd5 O17 2.531(14) .
Nd5 O26 2.870(13) .
Nd5 Nd8 3.8449(14) 4_665
Nd5 Nd12 3.8827(14) 4_665
Nd6 O9 2.409(13) 10_556
Nd6 O15 2.412(13) .
Nd6 O3 2.453(14) .
Nd6 O43 2.474(18) .
Nd6 O6 2.495(14) .
Nd6 O1W 2.521(15) .
Nd6 O5W 2.557(17) .
Nd6 O4W 2.571(15) .
Nd6 Nd14 3.8425(16) 10_556
Nd6 Nd10 3.8603(15) .
Nd7 O7 2.387(13) 10_556
Nd7 O4 2.392(12) .
Nd7 O1 2.427(12) .
Nd7 O18 2.452(14) .
Nd7 O30 2.489(13) .
Nd7 O17 2.512(14) .
Nd7 O7W 2.528(13) .
Nd7 O41 2.533(13) .
Nd7 O24 2.834(14) 10_556
Nd7 Nd14 3.7972(14) 10_556
Nd7 Nd9 3.8009(14) .
Nd8 O8 2.364(13) .
Nd8 O12 2.448(12) .
Nd8 O11 2.448(14) .
Nd8 O38 2.486(14) .
Nd8 O20 2.502(14) .
Nd8 O14W 2.510(13) .
Nd8 O14 2.512(13) 3_645
Nd8 O40 2.540(13) .
Nd8 O26 2.846(13) 3_645
Nd8 Nd5 3.8449(14) 3_645
Nd8 Nd12 3.8668(14) .
Nd9 O4 2.399(12) .
Nd9 O22 2.410(9) .
Nd9 O13 2.423(12) .
Nd9 O18 2.452(14) .
Nd9 O34 2.496(15) 4_665
Nd9 O19 2.509(13) .
Nd9 O42 2.523(14) .
Nd9 O2W 2.551(11) .
Nd9 O24 2.819(14) 10_556
Nd9 Nd10 3.9490(15) 4_665
Nd10 O15 2.429(13) .
Nd10 O3 2.455(14) .
Nd10 O5 2.460(11) .
Nd10 O35 2.471(14) .
Nd10 O21 2.475(13) .
Nd10 O19 2.503(13) 3_645
Nd10 O42 2.509(14) 3_645
Nd10 O9W 2.518(12) .
Nd10 O23 2.921(17) 10_556
Nd11 O3W 2.32(2) .
Nd11 O17 2.376(14) .
Nd11 O14 2.393(13) .
Nd11 O19 2.423(13) .
Nd11 O20 2.488(15) 4_665
Nd11 O18 2.495(14) .
Nd11 O21 2.498(14) 4_665
Nd11 Nd10 3.9813(15) 4_665
Nd11 Nd3 3.9815(16) 4_665
Nd12 O12 2.405(13) .
Nd12 O16 2.416(13) 3_645
Nd12 O32 2.430(14) 3_645
Nd12 O8 2.468(13) .
Nd12 O13W 2.495(16) .
Nd12 O12W 2.504(14) .
Nd12 O10 2.525(15) .
Nd12 O11W 2.562(14) .
Nd12 Nd1 3.7837(15) 3_645
Nd12 Nd5 3.8827(14) 3_645
Nd13 O7 2.475(13) .
Nd13 O13 2.482(12) 10_556
Nd13 O8W 2.496(15) .
Nd13 O28 2.498(16) .
Nd13 O6W 2.504(13) .
Nd13 O37 2.537(13) .
Nd13 O4 2.560(12) 10_556
Nd13 O2 2.590(14) .
Nd13 O10W 2.737(16) .
Nd13 Nd14 3.8754(15) .
Nd13 Nd7 3.9566(15) 10_556
Nd14 O2 2.366(13) .
Nd14 O7 2.410(13) .
Nd14 O6 2.433(14) 10_556
Nd14 O9 2.466(13) .
Nd14 O23 2.564(17) .
Nd14 O1 2.588(12) 10_556
Nd14 O24 2.598(14) .
Nd14 O29 2.604(13) .
Nd14 O27 2.767(4) .
Nd14 Nd7 3.7972(15) 10_556
Nd14 Nd3 3.8248(14) 10_556
Cl1 O48 1.33(5) .
Cl1 O46 1.35(2) .
Cl1 O45 1.368(15) .
Cl1 O47 1.39(4) .
Cl2 O50 1.30(10) .
Cl2 O49 1.42(4) .
Cl2 O49 1.42(4) 4_665
Cl2 O49 1.42(4) 3_645
Cl2 O49 1.42(4) 2_755
Cl3 O52 1.34(5) .
Cl3 O51 1.40(17) 10_556
Cl3 O51 1.40(17) .
Cl3 O60 1.41(5) .
Cl3 O60 1.41(5) 10_556
Cl4 O53 1.432(8) .
Cl4 O56 1.438(8) .
Cl4 O55 1.440(8) .
Cl4 O54 1.440(8) .
Cl5 O57 1.438(9) .
Cl5 O58 1.44(4) .
Cl5 O59 1.48(3) .
Cl5 O59 1.48(3) 10_556
C1 C2 1.41(4) .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C1 H1D 0.9800 .
C2 O28 1.27(3) .
C2 O29 1.30(3) .
C3 C4 1.52(3) .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C3 H3D 0.9800 .
C4 O30 1.25(2) .
C4 O31 1.28(2) .
C5 C6 1.51(4) .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C5 H5D 0.9800 .
C6 O33 1.30(3) .
C6 O32 1.36(3) .
C7 C8 1.49(3) .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C7 H7D 0.9800 .
C8 O35 1.24(2) .
C8 O34 1.30(2) .
C9 C9 1.02(4) 10_556
C9 C10 1.72(2) .
C10 O37 1.224(8) .
C10 O36 1.226(9) .
C11 C12 1.53(3) .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C11 H11D 0.9800 .
C12 O38 1.22(2) .
C12 O39 1.27(2) .
C13 C14 1.41(3) .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C13 H13D 0.9800 .
C14 O40 1.26(2) .
C14 O41 1.34(2) .
C15 C16 1.36(4) .
C16 O42 1.34(2) .
C16 O42 1.34(2) 10_556
C17 C17 1.26(7) 10_556
C17 C18 1.511(10) .
C18 O43 1.23(5) .
C18 O44 1.57(5) .
O1 Nd14 2.588(12) 10_556
O1 H1A 1.0000 .
O2 H2A 1.0000 .
O3 H3A 1.0000 .
O4 Nd13 2.560(12) 10_556
O4 H4A 1.0000 .
O5 Nd10 2.460(11) 10_556
O5 H5A 1.0000 .
O6 Nd14 2.433(14) 10_556
O6 H6A 1.0000 .
O7 Nd7 2.387(13) 10_556
O7 H7A 1.0000 .
O8 Nd5 2.445(13) 3_645
O8 H8A 1.0000 .
O9 Nd6 2.409(13) 10_556
O9 Nd3 2.443(13) 10_556
O9 H9A 1.0000 .
O10 Nd1 2.410(14) 3_645
O10 H10A 1.0000 .
O11 H11A 1.0000 .
O12 H12A 1.0000 .
O13 Nd13 2.482(12) 10_556
O13 H13A 1.0000 .
O14 Nd8 2.512(13) 4_665
O14 Nd3 2.521(13) 4_665
O14 H14A 1.0000 .
O15 H15A 1.0000 .
O16 Nd12 2.416(13) 4_665
O16 H16A 1.0000 .
O17 H17A 1.0000 .
O18 H18A 1.0000 .
O19 Nd10 2.503(13) 4_665
O19 H19G 1.0000 .
O20 Nd11 2.488(15) 3_645
O20 Nd5 2.493(15) 3_645
O20 H20A 1.0000 .
O21 Nd11 2.498(14) 3_645
O21 H21A 1.0000 .
O22 Nd9 2.410(9) 10_556
O22 H22A 1.0000 .
O23 Nd3 2.835(14) 10_556
O23 Nd10 2.921(17) 10_556
O24 Nd9 2.819(14) 10_556
O24 Nd7 2.834(14) 10_556
O25 Nd1 2.755(4) 3_645
O25 Nd1 2.755(4) 2_755
O25 Nd1 2.755(4) 4_665
O26 Nd1 2.610(13) 4_665
O26 Nd8 2.846(13) 4_665
O27 Nd14 2.767(4) 10_556
O32 Nd12 2.430(14) 4_665
O34 Nd9 2.496(15) 3_645
O36 C10 1.226(9) 10_556
O42 Nd10 2.509(14) 4_665
O44 C18 1.57(5) 10_556
O51 O51 1.3(4) 10_556
O2W Nd9 2.551(11) 10_556
O9W Nd10 2.518(12) 10_556
