#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:52:14 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185359 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/93/7039321.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_7039321
loop_
_publ_author_name
'Zhu, Wen-Hua'
'Zeng, Min'
'Wang, Juan'
'Li, Chen-Yang'
'Tian, Li-Hong'
'Yin, Jia-Cheng'
'Liu, Yu-Kun'
_publ_section_title
;
 A multifunctional lanthanide metal-organic framework supported by Keggin
 type polyoxometalates.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10141
_journal_page_last               10145
_journal_paper_doi               10.1039/c6dt00428h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
;
2(C42 H26 N6 Nd4 O28), O38 Si W12, 0.8(H4 O2), 4(H0.80 O0.40), 2(H O0.50), 5.8(H2 O)
;
_chemical_formula_sum            'C84 H72 N12 Nd8 O104 Si W12'
_chemical_formula_weight         6301.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-05-12 deposited with the CCDC.
2016-05-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.547(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.353(2)
_cell_length_b                   30.453(3)
_cell_length_c                   17.511(2)
_cell_measurement_reflns_used    4791
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.47
_cell_measurement_theta_min      2.13
_cell_volume                     8050.3(15)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'f/ and w/ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0061
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41641
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.449
_diffrn_reflns_theta_min         1.337
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    11.173
_exptl_absorpt_correction_T_max  0.55
_exptl_absorpt_correction_T_min  0.53
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    2.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5748
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.817
_refine_diff_density_min         -2.358
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1081
_refine_ls_number_reflns         18633
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.08P)²+1.88P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1269
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13873
_reflns_number_total             18633
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt00428h2.cif
_cod_data_source_block           2
_cod_depositor_comments          'Adding full bibliography for 7039321.cif.'
_cod_database_code               7039321
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8417(4) 0.8436(2) 0.2325(4) 0.0363(11) Uani 1 1 d . . . . .
C2 C 0.8961(4) 0.7734(2) 0.2938(5) 0.0413(14) Uani 1 1 d . . . . .
H2 H 0.9379 0.7890 0.3422 0.050 Uiso 1 1 calc R U . . .
C3 C 0.8356(4) 0.7940(2) 0.2237(5) 0.0411(13) Uani 1 1 d . . . . .
C4 C 0.7748(4) 0.77090(18) 0.1484(4) 0.0396(12) Uani 0.5 1 d . . P A 1
H4 H 0.7345 0.7862 0.0986 0.048 Uiso 0.5 1 calc R U P A 1
C5 C 0.6066(3) 0.84416(19) 0.2643(4) 0.0295(9) Uani 1 1 d . . . . .
C6 C 0.5985(4) 0.77249(18) 0.1887(4) 0.0387(12) Uani 0.5 1 d . . P B 1
H6 H 0.5953 0.7878 0.1412 0.046 Uiso 0.5 1 calc R U P B 1
C7 C 0.6034(5) 0.7961(2) 0.2628(5) 0.0382(12) Uani 1 1 d . . . . .
C8 C 0.6202(4) 0.77204(17) 0.3416(4) 0.0328(10) Uani 1 1 d . . . . .
H8 H 0.6309 0.7873 0.3919 0.039 Uiso 1 1 calc R U . . .
C9 C 0.3398(4) 0.84576(16) 0.2358(4) 0.0391(13) Uani 1 1 d D . . . .
C10 C 0.4074(4) 0.7742(2) 0.3050(4) 0.0348(11) Uani 1 1 d . . . . .
H10 H 0.4524 0.7890 0.3525 0.042 Uiso 1 1 calc R U . . .
C11 C 0.3468(4) 0.79662(16) 0.2408(4) 0.0326(10) Uani 1 1 d D . . . .
C12 C 0.2755(3) 0.77073(17) 0.1708(3) 0.0299(9) Uani 0.5 1 d . . P C 1
H12 H 0.2287 0.7854 0.1247 0.036 Uiso 0.5 1 calc R U P C 1
C13 C 0.1043(3) 0.84481(18) 0.2671(3) 0.0301(10) Uani 1 1 d . . . . .
C14 C 0.1021(4) 0.77200(17) 0.2048(4) 0.0431(14) Uani 0.5 1 d . . P D 1
H14 H 0.0984 0.7866 0.1565 0.052 Uiso 0.5 1 calc R U P D 1
C15 C 0.1069(4) 0.7952(2) 0.2696(5) 0.0372(12) Uani 1 1 d . . . . .
C16 C 0.1169(4) 0.7717(2) 0.3477(6) 0.0492(18) Uani 1 1 d . . . . .
H16 H 0.1231 0.7872 0.3962 0.059 Uiso 1 1 calc R U . . .
C17 C 0.8477(4) 0.99110(18) 0.1905(4) 0.0297(10) Uani 1 1 d . . . . .
C18 C 0.7715(4) 1.01525(19) 0.1195(4) 0.0300(10) Uani 1 1 d . . . . .
C19 C 0.7807(4) 1.05059(19) 0.0747(4) 0.0343(11) Uani 1 1 d . . . . .
H19 H 0.8364 1.0627 0.0934 0.041 Uiso 1 1 calc R U . . .
C20 C 0.7080(4) 1.0677(2) 0.0031(4) 0.0338(11) Uani 1 1 d . . . . .
H20 H 0.7137 1.0899 -0.0304 0.041 Uiso 1 1 calc R U . . .
C21 C 0.6243(4) 1.0506(2) -0.0181(4) 0.0345(11) Uani 1 1 d . . . . .
C22 C 0.62281(14) 1.0186(2) 0.0390(4) 0.0386(12) Uani 1 1 d . . . . .
H22 H 0.5681 1.0113 0.0332 0.046 Uiso 1 1 d DR U . . .
C23 C 0.5404(4) 1.0660(2) -0.0957(4) 0.0343(11) Uani 1 1 d . . . . .
C24 C 0.8644(4) 0.9376(2) 0.4022(4) 0.0386(13) Uani 1 1 d . . . . .
C25 C 0.8536(3) 0.95329(18) 0.4778(4) 0.0302(10) Uani 1 1 d . . . . .
C26 C 0.7943(3) 0.9346(2) 0.5003(4) 0.0321(10) Uani 1 1 d . . . . .
H26 H 0.7582 0.9113 0.4683 0.038 Uiso 1 1 calc R U . . .
C27 C 0.7906(4) 0.9521(2) 0.5735(4) 0.0357(12) Uani 1 1 d . . . . .
H27 H 0.7525 0.9398 0.5907 0.043 Uiso 1 1 calc R U . . .
C28 C 0.8437(4) 0.9876(2) 0.6196(4) 0.0334(11) Uani 1 1 d . . . . .
C29 C 0.9121(3) 0.98715(18) 0.5353(4) 0.0289(9) Uani 1 1 d . . . . .
H29 H 0.9572 0.9973 0.5258 0.035 Uiso 1 1 calc R U . . .
C30 C 0.8362(4) 1.0092(2) 0.6897(4) 0.0318(10) Uani 1 1 d . . . . .
C31 C 0.6617(4) 0.9903(2) 0.3108(4) 0.0317(10) Uani 1 1 d . . . . .
C32 C 0.6551(4) 1.0158(2) 0.3815(4) 0.0337(11) Uani 1 1 d . . . . .
C33 C 0.7036(4) 1.0508(2) 0.4215(4) 0.0372(12) Uani 1 1 d . . . . .
H33 H 0.7384 1.0644 0.4016 0.045 Uiso 1 1 calc R U . . .
C34 C 0.7003(4) 1.0666(2) 0.4964(4) 0.0348(11) Uani 1 1 d . . . . .
H34 H 0.7386 1.0890 0.5297 0.042 Uiso 1 1 calc R U . . .
C35 C 0.6426(3) 1.0499(2) 0.5206(3) 0.0315(11) Uani 1 1 d . . . . .
C36 C 0.5896(3) 1.01393(17) 0.4682(3) 0.0268(9) Uani 1 1 d . . . . .
H36 H 0.5478 1.0025 0.4812 0.032 Uiso 1 1 calc R U . . .
C37 C 0.6391(4) 1.06597(17) 0.5971(4) 0.0316(11) Uani 1 1 d . . . . .
C38 C 0.3484(4) 0.98716(17) 0.1883(3) 0.0265(9) Uani 1 1 d . . . . .
C39 C 0.2704(4) 1.0114(2) 0.1223(4) 0.0334(11) Uani 1 1 d . . . . .
C40 C 0.2793(5) 1.05042(19) 0.0755(4) 0.0376(12) Uani 1 1 d . . . . .
H40 H 0.3335 1.0641 0.0937 0.045 Uiso 1 1 calc R U . . .
C41 C 0.2039(4) 1.06462(19) 0.0050(5) 0.0370(13) Uani 1 1 d . . . . .
H41 H 0.2086 1.0876 -0.0276 0.044 Uiso 1 1 calc R U . . .
C42 C 0.1218(4) 1.0480(2) -0.0220(5) 0.0392(14) Uani 1 1 d . . . . .
C43 C 0.1218(3) 1.01342(19) 0.0327(4) 0.0304(10) Uani 1 1 d . . . . .
H43 H 0.0675 1.0039 0.0252 0.036 Uiso 1 1 calc R U . . .
C44 C 0.0388(4) 1.0631(2) -0.0934(4) 0.0357(11) Uani 1 1 d . . . . .
N1 N 0.6951(3) 0.99767(17) 0.1012(4) 0.0343(10) Uani 1 1 d . . . . .
N2 N 0.9048(3) 1.00368(17) 0.5979(4) 0.0319(9) Uani 1 1 d . . . . .
N3 N 0.5958(3) 0.99532(16) 0.4010(3) 0.0312(9) Uani 1 1 d . . . . .
N4 N 0.1950(3) 0.99393(17) 0.0941(4) 0.0343(10) Uani 1 1 d . . . . .
N5 N 0.7748(4) 0.77090(18) 0.1484(4) 0.0396(12) Uani 0.5 1 d . . P A 2
N6 N 0.5985(4) 0.77249(18) 0.1887(4) 0.0387(12) Uani 0.5 1 d . . P B 2
N7 N 0.2755(3) 0.77073(17) 0.1708(3) 0.0299(9) Uani 0.5 1 d . . P C 2
N8 N 0.1021(4) 0.77200(17) 0.2048(4) 0.0431(14) Uani 0.5 1 d . . P D 2
Nd1 Nd 0.99433(2) 0.92855(2) 0.30436(2) 0.02976(7) Uani 1 1 d . . . . .
Nd2 Nd 0.69020(2) 0.92928(2) 0.19402(2) 0.02980(7) Uani 1 1 d . . . . .
Nd3 Nd 0.49622(2) 0.92810(2) 0.30522(2) 0.03010(7) Uani 1 1 d . . . . .
Nd4 Nd 0.18938(2) 0.92687(2) 0.19359(2) 0.02955(7) Uani 1 1 d . . . . .
O1 O 0.9065(3) 0.85998(14) 0.3025(3) 0.0394(10) Uani 1 1 d . . . . .
O2 O 0.7839(3) 0.86543(17) 0.1703(3) 0.0410(10) Uani 1 1 d . . . . .
O3 O 0.6321(3) 0.86363(15) 0.2157(3) 0.0365(9) Uani 1 1 d . . . . .
O4 O 0.5917(3) 0.86374(15) 0.3186(3) 0.0354(8) Uani 1 1 d . . . . .
O5 O 0.4116(3) 0.86314(14) 0.2843(3) 0.0330(8) Uani 1 1 d . . . . .
O6 O 0.2686(3) 0.86092(14) 0.1846(3) 0.0348(8) Uani 1 1 d . . . . .
O7 O 0.1250(3) 0.86143(15) 0.2166(3) 0.0351(8) Uani 1 1 d . . . . .
O8 O 0.0928(3) 0.86592(15) 0.3224(3) 0.0351(9) Uani 1 1 d . . . . .
O9 O 0.9294(3) 1.00261(16) 0.2167(3) 0.0367(9) Uani 1 1 d . . . . .
O10 O 0.8331(3) 0.95479(14) 0.2156(3) 0.0346(8) Uani 1 1 d . . . . .
O11 O 0.5412(3) 1.08757(14) -0.1552(3) 0.0353(9) Uani 1 1 d . . . . .
O12 O 0.4655(3) 1.05580(15) -0.0984(3) 0.0398(10) Uani 1 1 d . . . . .
O13 O 0.9283(3) 0.94890(15) 0.3963(3) 0.0334(8) Uani 1 1 d . . . . .
O14 O 0.7969(3) 0.91466(15) 0.3459(3) 0.0343(8) Uani 1 1 d . . . . .
O15 O 0.8804(3) 1.04692(14) 0.7159(3) 0.0327(8) Uani 1 1 d . . . . .
O16 O 0.7875(3) 0.99879(16) 0.7198(3) 0.0348(8) Uani 1 1 d . . . . .
O17 O 0.7119(3) 1.00392(15) 0.2829(3) 0.0322(8) Uani 1 1 d . . . . .
O18 O 0.6209(3) 0.95479(14) 0.2826(3) 0.0328(8) Uani 1 1 d . . . . .
O19 O 0.7008(3) 1.08621(15) 0.6554(3) 0.0332(8) Uani 1 1 d . . . . .
O20 O 0.5710(3) 1.05349(15) 0.6041(3) 0.0354(9) Uani 1 1 d . . . . .
O21 O 0.4254(3) 1.00036(14) 0.2109(3) 0.0349(8) Uani 1 1 d . . . . .
O22 O 0.3308(3) 0.95298(14) 0.2146(3) 0.0337(8) Uani 1 1 d . . . . .
O23 O 0.0472(3) 1.08670(16) -0.1524(3) 0.0382(10) Uani 1 1 d . . . . .
O24 O -0.0334(3) 1.05487(15) -0.0975(3) 0.0361(9) Uani 1 1 d . . . . .
O1A O 0.5495(4) 1.07693(17) 0.2809(4) 0.0572(16) Uani 1 1 d . . . . .
O2A O 0.7906(4) 1.15926(16) 0.4686(4) 0.0520(14) Uani 1 1 d . . . . .
O3A O 0.7633(8) 1.2500 0.1905(9) 0.073(3) Uani 1 2 d S T P . .
O4A O 0.5194(5) 1.3276(2) -0.0120(4) 0.0604(16) Uani 1 1 d . . . . .
O5A O 0.2323(4) 1.33067(16) 0.0412(4) 0.0535(14) Uani 1 1 d . . . . .
O6A O 0.2266(6) 1.2500 0.2619(8) 0.072(3) Uani 1 2 d S T P . .
O7A O 0.5344(4) 1.1583(2) 0.5099(4) 0.0573(15) Uani 1 1 d . . . . .
O8A O 0.6333(4) 1.19789(16) 0.4531(4) 0.0543(15) Uani 1 1 d . . . . .
O9A O 0.7553(4) 1.20474(17) 0.3216(4) 0.0549(15) Uani 1 1 d . . . . .
O10A O 0.6283(4) 1.2885(2) 0.1614(4) 0.0524(13) Uani 1 1 d . . . . .
O11A O 0.3886(4) 1.31938(18) 0.0382(4) 0.0524(14) Uani 1 1 d . . . . .
O12A O 0.3254(4) 1.28995(18) 0.2045(4) 0.0493(12) Uani 1 1 d . . . . .
O13A O 0.4240(6) 1.2500 0.4168(6) 0.056(2) Uani 1 2 d S T P . .
O14A O 0.4863(4) 1.1536(2) 0.3438(4) 0.0564(15) Uani 1 1 d . . . . .
O15A O 0.6280(3) 1.1565(2) 0.3180(4) 0.0513(13) Uani 1 1 d . . . . .
O16A O 0.7619(4) 1.2500 0.4598(5) 0.0435(15) Uani 1 2 d S T P . .
O17A O 0.4785(6) 1.2500 0.0536(5) 0.0503(17) Uani 1 2 d S T P . .
O18A O 0.5318(4) 1.36205(17) 0.1465(4) 0.063(2) Uani 1 1 d . . . . .
O19A O 0.3151(5) 1.2500 0.0806(5) 0.0468(18) Uani 1 2 d S T P . .
O20A O 0.3878(4) 1.36234(18) 0.1624(5) 0.0577(16) Uani 1 1 d . . . . .
O21A O 0.6255(4) 1.2500 0.3023(5) 0.0444(15) Uani 1 2 d S T P . .
O22A O 0.4811(3) 1.29178(15) 0.1948(3) 0.0399(10) Uani 1 1 d . . . . .
O23A O 0.4796(4) 1.2500 0.3185(5) 0.0408(14) Uani 1 2 d S T P . .
O1W O 1.0797(3) 0.89879(14) 0.4558(3) 0.0356(8) Uani 1 1 d D . . . .
H1WA H 1.132(2) 0.892(3) 0.469(6) 0.053 Uiso 1 1 d D U . . .
H1WB H 1.049(5) 0.8755(16) 0.445(6) 0.053 Uiso 1 1 d D U . . .
O2W O 0.6369(3) 0.90667(14) 0.0419(3) 0.0367(9) Uani 1 1 d . . . . .
H2WA H 0.6515 0.9287 0.0119 0.044 Uiso 1 1 d R U . . .
H2WB H 0.5738 0.9029 0.0127 0.044 Uiso 1 1 d R U . . .
O3W O 0.5912(3) 0.90088(15) 0.4624(3) 0.0367(9) Uani 1 1 d D . . . .
H3WA H 0.603(6) 0.8750(11) 0.453(6) 0.044 Uiso 1 1 d D U . . .
H3WB H 0.560(5) 0.900(3) 0.488(5) 0.044 Uiso 1 1 d D U . . .
O4W O 0.1144(3) 0.89886(15) 0.0378(3) 0.0378(9) Uani 1 1 d D . . . .
H4WA H 0.141(4) 0.886(3) 0.015(5) 0.045 Uiso 1 1 d D U . . .
H4WB H 0.0582(10) 0.898(3) 0.008(5) 0.045 Uiso 1 1 d D U . . .
O5W O 1.0482(7) 0.7500 0.5691(6) 0.0470(19) Uani 0.8 2 d S T P . .
H5WA H 1.0532 0.7775 0.5784 0.056 Uiso 0.4 1 d R U P . .
H5WB H 1.0993 0.7387 0.5884 0.070 Uiso 0.4 1 d R U P . .
O6W O 0.8677(10) 0.7924(5) 0.5382(11) 0.058(4) Uani 0.4 1 d . . P . .
H6WA H 0.8845 0.8179 0.5333 0.069 Uiso 0.4 1 d R U P . .
H6WB H 0.9126 0.7768 0.5710 0.069 Uiso 0.4 1 d R U P . .
O7W O 0.7789(9) 0.8120(4) 0.6012(8) 0.044 Uani 0.4 1 d . . P . .
H7WA H 0.7294 0.8016 0.5627 0.053 Uiso 0.4 1 d R U P . .
H7WB H 0.7989 0.7969 0.6479 0.053 Uiso 0.4 1 d R U P . .
O8W O 0.9660(6) 0.7500 0.7949(7) 0.0459(18) Uani 0.8 2 d S T P . .
H8WA H 0.9357 0.7721 0.7938 0.055 Uiso 0.4 1 d R U P . .
H8WB H 0.9336 0.7326 0.7533 0.069 Uiso 0.4 1 d R U P . .
O9W O 0.0809(8) 1.3004(4) 0.0542(8) 0.038(2) Uani 0.4 1 d . U P . .
H9WA H 0.1130 1.3208 0.0515 0.045 Uiso 0.4 1 d R U P . .
H9WB H 0.0540 1.2874 0.0049 0.045 Uiso 0.4 1 d R U P . .
O10W O 0.1929(8) 0.8297(4) -0.0123(8) 0.054(3) Uani 0.5 1 d . . P . .
H10A H 0.1505 0.8389 -0.0606 0.065 Uiso 0.5 1 d R U P . .
H10B H 0.2109 0.8056 -0.0226 0.065 Uiso 0.5 1 d R U P . .
O11W O 0.2468(10) 0.7500 -0.0431(9) 0.080(3) Uani 1 2 d GS T P . .
H11A H 0.2370 0.7625 -0.0054 0.120 Uiso 0.5 1 d G U P . .
H11B H 0.2500 0.7224 -0.0353 0.120 Uiso 0.5 1 d G U P . .
O12W O 0.7548(5) 1.1364(3) 0.2498(5) 0.0220(14) Uani 0.4 1 d . U P . .
H12A H 0.8002 1.1503 0.2876 0.026 Uiso 0.4 1 d R U P . .
H12B H 0.7382 1.1346 0.1954 0.026 Uiso 0.4 1 d R U P . .
O13W O 0.2244(9) 1.1063(5) 0.2414(8) 0.053(3) Uani 0.4 1 d . . P E 1
H13A H 0.2124 1.0790 0.2378 0.064 Uiso 0.4 1 d R U P E 1
H13B H 0.2742 1.1116 0.2452 0.064 Uiso 0.4 1 d R U P E 1
O14W O 1.0595(14) 0.8658(5) 0.7340(12) 0.064(5) Uani 0.4 1 d . . P F 1
H14A H 1.0443 0.8463 0.6944 0.077 Uiso 0.4 1 d R U P F 1
H14B H 1.0574 0.8575 0.7793 0.077 Uiso 0.4 1 d R U P F 1
O15W O 0.3823(9) 0.8258(4) 0.0949(8) 0.040(2) Uani 0.4 1 d . . P . .
H15A H 0.4330 0.8184 0.1028 0.061 Uiso 0.4 1 d R U P . .
H15B H 0.3881 0.8383 0.1408 0.061 Uiso 0.4 1 d R U P . .
O16W O 1.0114(7) 0.9035(3) 0.7191(7) 0.038(2) Uani 0.4 1 d . . P G 2
H16A H 0.9999 0.9167 0.7550 0.046 Uiso 0.4 1 d R U P G 2
H16B H 1.0030 0.9174 0.6735 0.046 Uiso 0.4 1 d R U P G 2
Si1 Si 0.51583(15) 1.2500 0.25319(17) 0.0347(5) Uani 1 2 d S T P . .
W1 W 0.51133(2) 1.13440(2) 0.24668(2) 0.05541(10) Uani 1 1 d . . . . .
W2 W 0.71263(2) 1.19476(2) 0.40005(2) 0.05176(9) Uani 1 1 d . . . . .
W3 W 0.71000(3) 1.2500 0.23269(3) 0.04960(10) Uani 1 2 d S T P . .
W4 W 0.50889(2) 1.31053(2) 0.07928(2) 0.04812(8) Uani 1 1 d . . . . .
W5 W 0.32953(2) 1.31045(2) 0.10609(2) 0.04837(8) Uani 1 1 d . . . . .
W6 W 0.33467(3) 1.2500 0.29044(4) 0.05376(11) Uani 1 2 d S T P . .
W7 W 0.51919(3) 1.19478(2) 0.43208(2) 0.05516(9) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 C1 O1 125.1(6) . .
O2 C1 C3 117.1(6) . .
O1 C1 C3 117.8(6) . .
C3 C2 C2 118.5(4) . 4_575
C3 C2 H2 120.8 . .
C2 C2 H2 120.8 4_575 .
C2 C3 N5 121.4(7) . .
C2 C3 C4 121.4(7) . .
C2 C3 C1 113.4(6) . .
N5 C3 C1 125.2(6) . .
C4 C3 C1 125.2(6) . .
C4 C4 C3 120.1(4) 4_575 .
C4 C4 H4 120.0 4_575 .
C3 C4 H4 120.0 . .
O4 C5 O3 123.5(5) . .
O4 C5 C7 118.0(5) . .
O3 C5 C7 118.2(6) . .
C6 C6 C7 119.8(3) 4_575 .
C6 C6 H6 120.1 4_575 .
C7 C6 H6 120.1 . .
C8 C7 N6 119.6(5) . .
C8 C7 C6 119.6(5) . .
C8 C7 C5 119.8(6) . .
N6 C7 C5 119.8(6) . .
C6 C7 C5 119.8(6) . .
C8 C8 C7 120.2(3) 4_575 .
C8 C8 H8 119.9 4_575 .
C7 C8 H8 119.9 . .
O6 C9 O5 131.9(5) . .
O6 C9 C11 116.7(5) . .
O5 C9 C11 111.4(5) . .
C11 C10 C10 121.9(4) . 4_575
C11 C10 H10 119.1 . .
C10 C10 H10 119.1 4_575 .
C10 C11 N7 115.6(5) . .
C10 C11 C12 115.6(5) . .
C10 C11 C9 125.8(6) . .
N7 C11 C9 118.4(4) . .
C12 C11 C9 118.4(4) . .
C12 C12 C11 122.5(3) 4_575 .
C12 C12 H12 118.8 4_575 .
C11 C12 H12 118.8 . .
O7 C13 O8 124.2(5) . .
O7 C13 C15 114.9(6) . .
O8 C13 C15 120.2(5) . .
C15 C14 C14 122.9(4) . 4_575
C15 C14 H14 118.6 . .
C14 C14 H14 118.6 4_575 .
N8 C15 C16 118.0(6) . .
C14 C15 C16 118.0(6) . .
N8 C15 C13 121.9(6) . .
C14 C15 C13 121.9(6) . .
C16 C15 C13 120.1(6) . .
C16 C16 C15 119.1(4) 4_575 .
C16 C16 H16 120.5 4_575 .
C15 C16 H16 120.5 . .
O10 C17 O9 118.9(5) . .
O10 C17 C18 118.4(5) . .
O9 C17 C18 121.7(5) . .
O10 C17 Nd1 57.6(3) . .
O9 C17 Nd1 61.4(3) . .
C18 C17 Nd1 168.0(4) . .
N1 C18 C19 124.2(6) . .
N1 C18 C17 112.1(5) . .
C19 C18 C17 123.6(5) . .
C20 C19 C18 120.2(6) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C21 117.6(6) . .
C19 C20 H20 121.2 . .
C21 C20 H20 121.2 . .
C22 C21 C20 116.6(5) . .
C22 C21 C23 120.8(5) . .
C20 C21 C23 122.6(6) . .
N1 C22 C21 124.5(4) . .
N1 C22 H22 117.8 . .
C21 C22 H22 117.7 . .
O11 C23 O12 121.1(6) . .
O11 C23 C21 121.4(6) . .
O12 C23 C21 117.5(6) . .
O13 C24 O14 127.4(7) . .
O13 C24 C25 119.9(6) . .
O14 C24 C25 112.4(6) . .
C26 C25 C29 117.2(5) . .
C26 C25 C24 123.3(5) . .
C29 C25 C24 119.3(5) . .
C25 C26 C27 118.1(5) . .
C25 C26 H26 121.0 . .
C27 C26 H26 121.0 . .
C28 C27 C26 120.3(6) . .
C28 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
N2 C28 C27 119.7(6) . .
N2 C28 C30 118.2(5) . .
C27 C28 C30 122.1(6) . .
N2 C29 C25 123.3(5) . .
N2 C29 H29 118.4 . .
C25 C29 H29 118.4 . .
O16 C30 O15 118.2(5) . .
O16 C30 C28 127.5(6) . .
O15 C30 C28 113.9(5) . .
O16 C30 Nd4 61.0(3) . 3_676
O15 C30 Nd4 57.4(3) . 3_676
C28 C30 Nd4 166.0(4) . 3_676
O18 C31 O17 119.6(6) . .
O18 C31 C32 120.6(6) . .
O17 C31 C32 119.7(5) . .
O18 C31 Nd2 56.2(3) . .
O17 C31 Nd2 63.8(3) . .
C32 C31 Nd2 170.7(4) . .
C33 C32 N3 126.1(6) . .
C33 C32 C31 124.1(6) . .
N3 C32 C31 109.7(5) . .
C32 C33 C34 117.1(6) . .
C32 C33 H33 121.4 . .
C34 C33 H33 121.4 . .
C35 C34 C33 121.9(5) . .
C35 C34 H34 119.1 . .
C33 C34 H34 119.1 . .
C34 C35 C36 115.1(6) . .
C34 C35 C37 122.0(5) . .
C36 C35 C37 122.8(5) . .
N3 C36 C35 125.0(5) . .
N3 C36 H36 117.5 . .
C35 C36 H36 117.5 . .
O19 C37 O20 122.1(6) . .
O19 C37 C35 121.5(6) . .
O20 C37 C35 116.0(5) . .
O22 C38 O21 124.9(5) . .
O22 C38 C39 114.4(5) . .
O21 C38 C39 120.6(5) . .
O22 C38 Nd3 61.5(3) . .
O21 C38 Nd3 63.6(3) . .
C39 C38 Nd3 172.3(4) . .
N4 C39 C40 119.1(6) . .
N4 C39 C38 118.0(6) . .
C40 C39 C38 121.7(5) . .
C41 C40 C39 116.1(6) . .
C41 C40 H40 121.9 . .
C39 C40 H40 121.9 . .
C40 C41 C42 125.1(6) . .
C40 C41 H41 117.5 . .
C42 C41 H41 117.5 . .
C41 C42 C43 112.9(6) . .
C41 C42 C44 127.7(6) . .
C43 C42 C44 119.2(6) . .
N4 C43 C42 123.7(5) . .
N4 C43 H43 118.1 . .
C42 C43 H43 118.1 . .
O24 C44 O23 124.1(6) . .
O24 C44 C42 122.2(6) . .
O23 C44 C42 113.7(6) . .
C18 N1 C22 115.4(5) . .
C18 N1 Nd2 120.0(4) . .
C22 N1 Nd2 124.4(4) . .
C29 N2 C28 121.0(5) . .
C29 N2 Nd1 122.7(4) . 3_776
C28 N2 Nd1 116.3(4) . 3_776
C36 N3 C32 114.3(5) . .
C36 N3 Nd3 124.1(4) . .
C32 N3 Nd3 121.4(4) . .
C39 N4 C43 121.3(6) . .
C39 N4 Nd4 115.0(4) . .
C43 N4 Nd4 122.0(4) . .
N5 N5 C3 120.1(4) 4_575 .
N6 N6 C7 119.8(3) 4_575 .
N7 N7 C11 122.5(3) 4_575 .
C15 N8 N8 122.9(4) . 4_575
O23 Nd1 O13 141.05(16) 3_675 .
O23 Nd1 O8 78.81(15) 3_675 1_655
O13 Nd1 O8 128.53(14) . 1_655
O23 Nd1 O15 73.11(15) 3_675 3_776
O13 Nd1 O15 137.48(15) . 3_776
O8 Nd1 O15 69.64(14) 1_655 3_776
O23 Nd1 O1W 142.80(16) 3_675 .
O13 Nd1 O1W 67.66(15) . .
O8 Nd1 O1W 64.67(15) 1_655 .
O15 Nd1 O1W 99.15(15) 3_776 .
O23 Nd1 O10 75.57(16) 3_675 .
O13 Nd1 O10 66.39(15) . .
O8 Nd1 O10 142.63(16) 1_655 .
O15 Nd1 O10 126.09(14) 3_776 .
O1W Nd1 O10 131.12(15) . .
O23 Nd1 O1 88.68(17) 3_675 .
O13 Nd1 O1 75.53(16) . .
O8 Nd1 O1 75.17(14) 1_655 .
O15 Nd1 O1 142.75(15) 3_776 .
O1W Nd1 O1 75.85(14) . .
O10 Nd1 O1 77.48(13) . .
O23 Nd1 O9 73.54(15) 3_675 .
O13 Nd1 O9 87.86(15) . .
O8 Nd1 O9 143.14(15) 1_655 .
O15 Nd1 O9 79.23(14) 3_776 .
O1W Nd1 O9 142.09(14) . .
O10 Nd1 O9 50.11(13) . .
O1 Nd1 O9 127.10(12) . .
O23 Nd1 N2 126.03(16) 3_675 3_776
O13 Nd1 N2 76.09(15) . 3_776
O8 Nd1 N2 108.47(16) 1_655 3_776
O15 Nd1 N2 61.39(15) 3_776 3_776
O1W Nd1 N2 75.14(15) . 3_776
O10 Nd1 N2 108.55(15) . 3_776
O1 Nd1 N2 145.29(17) . 3_776
O9 Nd1 N2 70.98(14) . 3_776
O23 Nd1 C17 72.48(16) 3_675 .
O13 Nd1 C17 76.19(15) . .
O8 Nd1 C17 151.21(16) 1_655 .
O15 Nd1 C17 103.19(14) 3_776 .
O1W Nd1 C17 143.28(16) . .
O10 Nd1 C17 24.51(13) . .
O1 Nd1 C17 101.71(13) . .
O9 Nd1 C17 25.61(12) . .
N2 Nd1 C17 90.47(16) 3_776 .
O3 Nd2 O12 81.37(17) . 3_675
O3 Nd2 O14 79.79(16) . .
O12 Nd2 O14 141.65(18) 3_675 .
O3 Nd2 O10 136.71(15) . .
O12 Nd2 O10 138.57(17) 3_675 .
O14 Nd2 O10 73.73(16) . .
O3 Nd2 O2W 88.52(16) . .
O12 Nd2 O2W 66.80(17) 3_675 .
O14 Nd2 O2W 144.96(15) . .
O10 Nd2 O2W 93.90(16) . .
O3 Nd2 O18 77.86(15) . .
O12 Nd2 O18 69.94(17) 3_675 .
O14 Nd2 O18 73.60(15) . .
O10 Nd2 O18 124.41(15) . .
O2W Nd2 O18 136.08(15) . .
O3 Nd2 N1 154.99(16) . .
O12 Nd2 N1 78.02(17) 3_675 .
O14 Nd2 N1 125.21(15) . .
O10 Nd2 N1 60.76(16) . .
O2W Nd2 N1 70.44(16) . .
O18 Nd2 N1 107.70(16) . .
O3 Nd2 O17 125.26(15) . .
O12 Nd2 O17 91.82(14) 3_675 .
O14 Nd2 O17 72.82(14) . .
O10 Nd2 O17 78.39(14) . .
O2W Nd2 O17 137.84(14) . .
O18 Nd2 O17 49.46(13) . .
N1 Nd2 O17 69.74(15) . .
O3 Nd2 O2 75.56(16) . .
O12 Nd2 O2 125.59(16) 3_675 .
O14 Nd2 O2 81.02(16) . .
O10 Nd2 O2 67.03(15) . .
O2W Nd2 O2 64.05(15) . .
O18 Nd2 O2 145.93(15) . .
N1 Nd2 O2 105.42(17) . .
O17 Nd2 O2 141.29(14) . .
O3 Nd2 C31 100.99(17) . .
O12 Nd2 C31 81.42(16) 3_675 .
O14 Nd2 C31 69.89(16) . .
O10 Nd2 C31 101.22(16) . .
O2W Nd2 C31 145.13(15) . .
O18 Nd2 C31 24.54(14) . .
N1 Nd2 C31 89.84(17) . .
O17 Nd2 C31 25.01(14) . .
O2 Nd2 C31 150.79(15) . .
O5 Nd3 O11 81.63(16) . 3_675
O5 Nd3 O20 80.53(15) . 3_676
O11 Nd3 O20 142.00(16) 3_675 3_676
O5 Nd3 O4 72.13(15) . .
O11 Nd3 O4 76.01(14) 3_675 .
O20 Nd3 O4 128.48(15) 3_676 .
O5 Nd3 O18 139.11(15) . .
O11 Nd3 O18 71.61(16) 3_675 .
O20 Nd3 O18 138.36(14) 3_676 .
O4 Nd3 O18 71.77(14) . .
O5 Nd3 O3W 85.25(15) . .
O11 Nd3 O3W 142.32(15) 3_675 .
O20 Nd3 O3W 68.65(16) 3_676 .
O4 Nd3 O3W 66.35(15) . .
O18 Nd3 O3W 97.30(14) . .
O5 Nd3 O22 74.83(14) . .
O11 Nd3 O22 76.83(15) 3_675 .
O20 Nd3 O22 66.22(15) 3_676 .
O4 Nd3 O22 139.62(15) . .
O18 Nd3 O22 125.59(14) . .
O3W Nd3 O22 132.88(15) . .
O5 Nd3 O21 122.04(14) . .
O11 Nd3 O21 72.25(14) 3_675 .
O20 Nd3 O21 89.50(16) 3_676 .
O4 Nd3 O21 142.01(14) . .
O18 Nd3 O21 78.77(14) . .
O3W Nd3 O21 142.51(14) . .
O22 Nd3 O21 49.53(14) . .
O5 Nd3 N3 153.14(16) . .
O11 Nd3 N3 125.20(16) 3_675 .
O20 Nd3 N3 77.60(15) 3_676 .
O4 Nd3 N3 110.39(16) . .
O18 Nd3 N3 60.76(16) . .
O3W Nd3 N3 72.41(14) . .
O22 Nd3 N3 109.62(15) . .
O21 Nd3 N3 73.35(13) . .
O5 Nd3 C38 98.03(15) . .
O11 Nd3 C38 72.14(14) 3_675 .
O20 Nd3 C38 77.50(15) 3_676 .
O4 Nd3 C38 147.74(14) . .
O18 Nd3 C38 102.28(14) . .
O3W Nd3 C38 145.00(14) . .
O22 Nd3 C38 24.53(14) . .
O21 Nd3 C38 25.02(14) . .
N3 Nd3 C38 92.29(15) . .
O19 Nd4 O7 82.03(16) 3_676 .
O19 Nd4 O22 72.22(16) 3_676 .
O7 Nd4 O22 139.57(15) . .
O19 Nd4 O24 143.19(17) 3_676 3_575
O7 Nd4 O24 81.72(16) . 3_575
O22 Nd4 O24 136.30(16) . 3_575
O19 Nd4 O6 76.88(15) 3_676 .
O7 Nd4 O6 70.07(15) . .
O22 Nd4 O6 74.01(14) . .
O24 Nd4 O6 126.89(15) 3_575 .
O19 Nd4 O4W 146.89(15) 3_676 .
O7 Nd4 O4W 82.35(16) . .
O22 Nd4 O4W 102.62(16) . .
O24 Nd4 O4W 61.76(15) 3_575 .
O6 Nd4 O4W 70.38(15) . .
O19 Nd4 O15 74.40(14) 3_676 3_676
O7 Nd4 O15 75.76(14) . 3_676
O22 Nd4 O15 123.87(15) . 3_676
O24 Nd4 O15 69.67(15) 3_575 3_676
O6 Nd4 O15 137.74(15) . 3_676
O4W Nd4 O15 128.89(15) . 3_676
O19 Nd4 O16 72.42(14) 3_676 3_676
O7 Nd4 O16 124.29(15) . 3_676
O22 Nd4 O16 77.08(15) . 3_676
O24 Nd4 O16 90.20(14) 3_575 3_676
O6 Nd4 O16 142.87(14) . 3_676
O4W Nd4 O16 139.60(14) . 3_676
O15 Nd4 O16 50.20(14) 3_676 3_676
O19 Nd4 N4 124.64(16) 3_676 .
O7 Nd4 N4 153.31(16) . .
O22 Nd4 N4 59.86(15) . .
O24 Nd4 N4 76.45(16) 3_575 .
O6 Nd4 N4 111.76(16) . .
O4W Nd4 N4 73.91(16) . .
O15 Nd4 N4 109.98(15) 3_676 .
O16 Nd4 N4 71.41(15) 3_676 .
O19 Nd4 C30 70.35(15) 3_676 3_676
O7 Nd4 C30 100.70(16) . 3_676
O22 Nd4 C30 99.29(16) . 3_676
O24 Nd4 C30 80.57(15) 3_575 3_676
O6 Nd4 C30 146.97(15) . 3_676
O4W Nd4 C30 141.53(14) . 3_676
O15 Nd4 C30 26.08(15) 3_676 3_676
O16 Nd4 C30 24.18(15) 3_676 3_676
N4 Nd4 C30 90.76(17) . 3_676
C1 O1 Nd1 124.0(4) . .
C1 O2 Nd2 122.4(4) . .
C5 O3 Nd2 144.6(4) . .
C5 O4 Nd3 132.6(3) . .
C9 O5 Nd3 143.3(4) . .
C9 O6 Nd4 131.2(4) . .
C13 O7 Nd4 142.3(4) . .
C13 O8 Nd1 131.1(3) . 1_455
C17 O9 Nd1 93.0(3) . .
C17 O10 Nd2 126.0(4) . .
C17 O10 Nd1 97.9(3) . .
Nd2 O10 Nd1 135.61(19) . .
C23 O11 Nd3 134.5(4) . 3_675
C23 O12 Nd2 136.7(4) . 3_675
C24 O13 Nd1 136.1(5) . .
C24 O14 Nd2 130.5(4) . .
C30 O15 Nd1 127.4(4) . 3_776
C30 O15 Nd4 96.6(4) . 3_676
Nd1 O15 Nd4 135.37(18) 3_776 3_676
C30 O16 Nd4 94.8(4) . 3_676
C31 O17 Nd2 91.2(4) . .
C31 O18 Nd2 99.3(4) . .
C31 O18 Nd3 125.3(4) . .
Nd2 O18 Nd3 135.09(19) . .
C37 O19 Nd4 136.6(4) . 3_676
C37 O20 Nd3 137.4(4) . 3_676
C38 O21 Nd3 91.4(3) . .
C38 O22 Nd4 129.6(4) . .
C38 O22 Nd3 94.0(3) . .
Nd4 O22 Nd3 136.20(18) . .
C44 O23 Nd1 131.5(4) . 3_675
C44 O24 Nd4 137.3(4) . 3_575
W7 O8A W2 145.7(4) . .
W2 O9A W3 123.7(3) . .
W3 O10A W4 157.0(4) . .
W4 O11A W5 125.1(3) . .
W5 O12A W6 158.2(3) . .
W6 O13A W7 104.7(3) . .
W6 O13A W7 104.7(3) . 4_585
W7 O13A W7 95.1(4) . 4_585
W7 O14A W1 142.0(4) . .
W2 O15A W1 154.5(4) . .
W2 O16A W2 120.0(3) 4_585 .
W4 O17A W4 149.8(5) . 4_585
W4 O18A W1 122.1(3) . 4_585
W5 O19A W5 156.1(4) 4_585 .
W5 O20A W1 123.9(3) . 4_585
Si1 O21A W2 122.8(3) . 4_585
Si1 O21A W2 122.8(3) . .
W2 O21A W2 91.7(2) 4_585 .
Si1 O21A W3 126.0(4) . .
W2 O21A W3 92.1(2) 4_585 .
W2 O21A W3 92.1(2) . .
Si1 O22A W4 125.6(3) . .
Si1 O22A W5 124.9(3) . .
W4 O22A W5 90.58(16) . .
Si1 O22A W1 125.4(2) . 4_585
W4 O22A W1 89.94(19) . 4_585
W5 O22A W1 89.32(16) . 4_585
Si1 O23A W6 129.5(4) . .
Si1 O23A W7 123.3(2) . .
W6 O23A W7 90.7(2) . .
Si1 O23A W7 123.3(2) . 4_585
W6 O23A W7 90.7(2) . 4_585
W7 O23A W7 87.5(2) . 4_585
Nd1 O1W H1WA 111(7) . .
Nd1 O1W H1WB 95(6) . .
H1WA O1W H1WB 110(5) . .
Nd2 O2W H2WA 109.9 . .
Nd2 O2W H2WB 109.5 . .
H2WA O2W H2WB 109.5 . .
Nd3 O3W H3WA 101(6) . .
Nd3 O3W H3WB 110(6) . .
H3WA O3W H3WB 109(4) . .
Nd4 O4W H4WA 124(5) . .
Nd4 O4W H4WB 120(5) . .
H4WA O4W H4WB 114(5) . .
H5WA O5W H5WB 109.5 . .
H6WA O6W H6WB 109.5 . .
H7WA O7W H7WB 109.5 . .
H8WA O8W H8WB 109.5 . .
H9WA O9W H9WB 109.5 . .
H10A O10W H10B 107.5 . .
H11A O11W H11B 109.9 . .
H12A O12W H12B 125.3 . .
H13A O13W H13B 113.2 . .
H14A O14W H14B 114.6 . .
H15A O15W H15B 109.5 . .
H16A O16W H16B 117.9 . .
O23A Si1 O22A 108.5(3) . .
O23A Si1 O22A 108.5(3) . 4_585
O22A Si1 O22A 109.7(3) . 4_585
O23A Si1 O21A 113.3(4) . .
O22A Si1 O21A 108.3(3) . .
O22A Si1 O21A 108.3(3) 4_585 .
O1A W1 O15A 91.5(3) . .
O1A W1 O20A 112.5(2) . 4_585
O15A W1 O20A 155.9(2) . 4_585
O1A W1 O18A 98.5(3) . 4_585
O15A W1 O18A 87.9(3) . 4_585
O20A W1 O18A 86.3(3) 4_585 4_585
O1A W1 O14A 100.9(3) . .
O15A W1 O14A 87.0(3) . .
O20A W1 O14A 90.6(3) 4_585 .
O18A W1 O14A 160.1(2) 4_585 .
O1A W1 O22A 170.1(3) . 4_585
O15A W1 O22A 83.1(2) . 4_585
O20A W1 O22A 72.8(2) 4_585 4_585
O18A W1 O22A 73.1(2) 4_585 4_585
O14A W1 O22A 87.1(2) . 4_585
O2A W2 O15A 101.4(2) . .
O2A W2 O9A 99.1(3) . .
O15A W2 O9A 89.0(3) . .
O2A W2 O16A 100.7(2) . .
O15A W2 O16A 157.5(2) . .
O9A W2 O16A 91.5(3) . .
O2A W2 O8A 101.2(3) . .
O15A W2 O8A 85.9(3) . .
O9A W2 O8A 159.7(2) . .
O16A W2 O8A 86.0(3) . .
O2A W2 O21A 169.5(3) . .
O15A W2 O21A 84.7(2) . .
O9A W2 O21A 72.2(3) . .
O16A W2 O21A 74.1(2) . .
O8A W2 O21A 87.8(2) . .
O3A W3 O10A 97.5(5) . 4_585
O3A W3 O10A 97.5(5) . .
O10A W3 O10A 81.9(4) 4_585 .
O3A W3 O9A 107.7(4) . .
O10A W3 O9A 87.9(3) 4_585 .
O10A W3 O9A 153.8(3) . .
O3A W3 O9A 107.7(4) . 4_585
O10A W3 O9A 153.8(3) 4_585 4_585
O10A W3 O9A 87.8(3) . 4_585
O9A W3 O9A 91.0(3) . 4_585
O3A W3 O21A 179.4(6) . .
O10A W3 O21A 83.0(3) 4_585 .
O10A W3 O21A 83.0(3) . .
O9A W3 O21A 71.8(2) . .
O9A W3 O21A 71.8(2) 4_585 .
O4A W4 O11A 101.7(3) . .
O4A W4 O18A 103.6(3) . .
O11A W4 O18A 88.4(3) . .
O4A W4 O17A 102.2(3) . .
O11A W4 O17A 85.5(3) . .
O18A W4 O17A 154.2(3) . .
O4A W4 O10A 102.7(3) . .
O11A W4 O10A 155.2(3) . .
O18A W4 O10A 90.4(3) . .
O17A W4 O10A 84.9(3) . .
O4A W4 O22A 174.1(3) . .
O11A W4 O22A 72.7(2) . .
O18A W4 O22A 74.7(3) . .
O17A W4 O22A 79.6(3) . .
O10A W4 O22A 83.0(2) . .
O5A W5 O20A 98.8(3) . .
O5A W5 O12A 105.9(3) . .
O20A W5 O12A 93.0(3) . .
O5A W5 O19A 103.6(3) . .
O20A W5 O19A 157.6(3) . .
O12A W5 O19A 80.3(3) . .
O5A W5 O11A 101.5(3) . .
O20A W5 O11A 83.9(3) . .
O12A W5 O11A 152.6(2) . .
O19A W5 O11A 92.3(3) . .
O5A W5 O22A 170.2(2) . .
O20A W5 O22A 73.8(2) . .
O12A W5 O22A 81.4(2) . .
O19A W5 O22A 84.0(2) . .
O11A W5 O22A 71.5(2) . .
O6A W6 O12A 96.9(4) . 4_585
O6A W6 O12A 96.9(4) . .
O12A W6 O12A 80.6(3) 4_585 .
O6A W6 O13A 118.4(5) . .
O12A W6 O13A 127.3(2) 4_585 .
O12A W6 O13A 127.3(2) . .
O6A W6 O23A 175.7(5) . .
O12A W6 O23A 79.9(2) 4_585 .
O12A W6 O23A 79.9(2) . .
O13A W6 O23A 66.0(3) . .
O7A W7 O8A 98.6(3) . .
O7A W7 O14A 95.2(3) . .
O8A W7 O14A 93.4(3) . .
O7A W7 O13A 113.5(3) . .
O8A W7 O13A 129.5(2) . .
O14A W7 O13A 119.7(3) . .
O7A W7 O23A 172.8(3) . .
O8A W7 O23A 88.3(2) . .
O14A W7 O23A 86.5(2) . .
O13A W7 O23A 59.8(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.247(8) .
C1 O1 1.287(7) .
C1 C3 1.517(9) .
C2 C3 1.316(9) .
C2 C2 1.425(12) 4_575
C2 H2 0.9300 .
C3 N5 1.405(9) .
C3 C4 1.405(9) .
C4 C4 1.273(11) 4_575
C4 H4 0.9300 .
C5 O4 1.253(7) .
C5 O3 1.282(7) .
C5 C7 1.464(8) .
C6 C6 1.370(11) 4_575
C6 C7 1.449(8) .
C6 H6 0.9300 .
C7 C8 1.460(8) .
C7 N6 1.449(8) .
C8 C8 1.343(10) 4_575
C8 H8 0.9300 .
C9 O6 1.205(7) .
C9 O5 1.228(6) .
C9 C11 1.5004(10) .
C10 C11 1.293(7) .
C10 C10 1.474(13) 4_575
C10 H10 0.9300 .
C11 N7 1.469(7) .
C11 C12 1.469(7) .
C12 C12 1.263(11) 4_575
C12 H12 0.9300 .
C13 O7 1.216(7) .
C13 O8 1.257(7) .
C13 C15 1.510(8) .
C14 C15 1.304(9) .
C14 C14 1.340(10) 4_575
C14 H14 0.9300 .
C15 N8 1.304(9) .
C15 C16 1.477(10) .
C16 C16 1.320(14) 4_575
C16 H16 0.9300 .
C17 O10 1.261(6) .
C17 O9 1.304(6) .
C17 C18 1.488(7) .
C17 Nd1 3.012(5) .
C18 N1 1.314(7) .
C18 C19 1.386(8) .
C19 C20 1.369(8) .
C19 H19 0.9300 .
C20 C21 1.410(8) .
C20 H20 0.9300 .
C21 C22 1.405(8) .
C21 C23 1.495(8) .
C22 N1 1.349(7) .
C22 H22 0.9301 .
C23 O11 1.237(8) .
C23 O12 1.313(8) .
C24 O13 1.214(8) .
C24 O14 1.300(7) .
C24 C25 1.504(10) .
C25 C26 1.392(7) .
C25 C29 1.449(7) .
C26 C27 1.418(8) .
C26 H26 0.9300 .
C27 C28 1.391(7) .
C27 H27 0.9300 .
C28 N2 1.380(7) .
C28 C30 1.454(8) .
C29 N2 1.269(8) .
C29 H29 0.9300 .
C30 O16 1.237(7) .
C30 O15 1.332(7) .
C30 Nd4 3.010(6) 3_676
C31 O18 1.254(7) .
C31 O17 1.260(7) .
C31 C32 1.513(8) .
C31 Nd2 2.980(6) .
C32 C33 1.323(8) .
C32 N3 1.382(8) .
C33 C34 1.425(8) .
C33 H33 0.9300 .
C34 C35 1.365(8) .
C34 H34 0.9300 .
C35 C36 1.432(7) .
C35 C37 1.456(9) .
C36 N3 1.357(7) .
C36 H36 0.9300 .
C37 O19 1.220(7) .
C37 O20 1.304(7) .
C38 O22 1.237(7) .
C38 O21 1.257(7) .
C38 C39 1.473(7) .
C38 Nd3 2.971(5) .
C39 N4 1.265(7) .
C39 C40 1.494(9) .
C40 C41 1.353(8) .
C40 H40 0.9300 .
C41 C42 1.358(8) .
C41 H41 0.9300 .
C42 C43 1.424(8) .
C42 C44 1.440(8) .
C43 N4 1.332(7) .
C43 H43 0.9300 .
C44 O24 1.244(8) .
C44 O23 1.323(8) .
N1 Nd2 2.669(5) .
N2 Nd1 2.702(5) 3_776
N3 Nd3 2.671(5) .
N4 Nd4 2.718(5) .
N5 N5 1.273(11) 4_575
N6 N6 1.370(11) 4_575
N7 N7 1.263(11) 4_575
N8 N8 1.340(10) 4_575
Nd1 O23 2.435(5) 3_675
Nd1 O13 2.472(5) .
Nd1 O8 2.475(4) 1_655
Nd1 O15 2.483(5) 3_776
Nd1 O1W 2.485(5) .
Nd1 O10 2.567(4) .
Nd1 O1 2.576(5) .
Nd1 O9 2.647(5) .
Nd1 N2 2.702(5) 3_776
Nd2 O3 2.352(5) .
Nd2 O12 2.419(4) 3_675
Nd2 O14 2.418(4) .
Nd2 O10 2.444(4) .
Nd2 O2W 2.448(5) .
Nd2 O18 2.508(5) .
Nd2 O17 2.674(4) .
Nd2 O2 2.695(5) .
Nd3 O5 2.382(4) .
Nd3 O11 2.422(4) 3_675
Nd3 O20 2.454(5) 3_676
Nd3 O4 2.501(5) .
Nd3 O18 2.519(5) .
Nd3 O3W 2.551(5) .
Nd3 O22 2.616(4) .
Nd3 O21 2.661(4) .
Nd4 O19 2.411(4) 3_676
Nd4 O7 2.413(5) .
Nd4 O22 2.428(5) .
Nd4 O24 2.445(5) 3_575
Nd4 O6 2.483(4) .
Nd4 O4W 2.523(5) .
Nd4 O15 2.552(5) 3_676
Nd4 O16 2.643(5) 3_676
Nd4 C30 3.010(6) 3_676
O8 Nd1 2.475(4) 1_455
O11 Nd3 2.422(4) 3_675
O12 Nd2 2.419(4) 3_675
O15 Nd1 2.483(5) 3_776
O15 Nd4 2.552(5) 3_676
O16 Nd4 2.643(5) 3_676
O19 Nd4 2.411(4) 3_676
O20 Nd3 2.454(5) 3_676
O23 Nd1 2.435(5) 3_675
O24 Nd4 2.445(5) 3_575
O1A W1 1.862(5) .
O2A W2 1.685(5) .
O3A W3 1.441(10) .
O4A W4 1.774(6) .
O5A W5 1.621(6) .
O6A W6 1.685(10) .
O7A W7 1.675(7) .
O8A W7 1.830(7) .
O8A W2 2.006(8) .
O9A W2 1.879(8) .
O9A W3 1.932(6) .
O10A W3 1.788(6) .
O10A W4 1.968(6) .
O11A W4 1.862(6) .
O11A W5 1.933(7) .
O12A W5 1.866(6) .
O12A W6 1.880(6) .
O13A W6 1.978(9) .
O13A W7 2.279(7) .
O13A W7 2.279(7) 4_585
O14A W7 1.849(6) .
O14A W1 2.037(7) .
O15A W2 1.871(6) .
O15A W1 1.902(5) .
O16A W2 1.942(3) 4_585
O16A W2 1.943(3) .
O17A W4 1.909(2) .
O17A W4 1.909(2) 4_585
O18A W4 1.882(6) .
O18A W1 1.957(8) 4_585
O19A W5 1.8816(15) 4_585
O19A W5 1.8817(15) .
O20A W5 1.873(6) .
O20A W1 1.914(6) 4_585
O21A Si1 1.657(7) .
O21A W2 2.344(5) 4_585
O21A W2 2.344(5) .
O21A W3 2.324(8) .
O22A Si1 1.556(5) .
O22A W4 2.369(6) .
O22A W5 2.371(5) .
O22A W1 2.384(4) 4_585
O23A Si1 1.553(8) .
O23A W6 2.313(7) .
O23A W7 2.431(5) .
O23A W7 2.431(5) 4_585
O1W H1WA 0.851(14) .
O1W H1WB 0.852(14) .
O2W H2WA 0.9602 .
O2W H2WB 0.9598 .
O3W H3WA 0.848(14) .
O3W H3WB 0.854(14) .
O4W H4WA 0.849(14) .
O4W H4WB 0.849(14) .
O5W H5WA 0.8500 .
O5W H5WB 0.8499 .
O6W H6WA 0.8499 .
O6W H6WB 0.8499 .
O7W H7WA 0.8500 .
O7W H7WB 0.8502 .
O8W H8WA 0.8498 .
O8W H8WB 0.8501 .
O9W H9WA 0.8499 .
O9W H9WB 0.8499 .
O10W H10A 0.8495 .
O10W H10B 0.8503 .
O11W H11A 0.8476 .
O11W H11B 0.8499 .
O12W H12A 0.8500 .
O12W H12B 0.8502 .
O13W H13A 0.8502 .
O13W H13B 0.8501 .
O14W H14A 0.8499 .
O14W H14B 0.8499 .
O15W H15A 0.8502 .
O15W H15B 0.8500 .
O16W H16A 0.8501 .
O16W H16B 0.8495 .
Si1 O22A 1.556(5) 4_585
W1 O20A 1.914(6) 4_585
W1 O18A 1.957(8) 4_585
W1 O22A 2.384(4) 4_585
W3 O10A 1.788(6) 4_585
W3 O9A 1.932(6) 4_585
W6 O12A 1.880(6) 4_585
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
C2 C2 C3 N5 -3.2(8) 4_575 .
C2 C2 C3 C4 -3.2(8) 4_575 .
C2 C2 C3 C1 179.1(4) 4_575 .
O2 C1 C3 C2 -176.7(7) . .
O1 C1 C3 C2 4.3(10) . .
O2 C1 C3 N5 5.7(11) . .
O1 C1 C3 N5 -173.3(7) . .
O2 C1 C3 C4 5.7(11) . .
O1 C1 C3 C4 -173.3(7) . .
C2 C3 C4 C4 3.3(9) . 4_575
C1 C3 C4 C4 -179.3(5) . 4_575
C6 C6 C7 C8 8.1(8) 4_575 .
C6 C6 C7 C5 177.8(4) 4_575 .
O4 C5 C7 C8 -25.5(8) . .
O3 C5 C7 C8 148.5(6) . .
O4 C5 C7 N6 164.9(6) . .
O3 C5 C7 N6 -21.2(9) . .
O4 C5 C7 C6 164.9(6) . .
O3 C5 C7 C6 -21.2(9) . .
N6 C7 C8 C8 -8.2(8) . 4_575
C6 C7 C8 C8 -8.2(8) . 4_575
C5 C7 C8 C8 -177.9(4) . 4_575
C10 C10 C11 N7 3.3(7) 4_575 .
C10 C10 C11 C12 3.3(7) 4_575 .
C10 C10 C11 C9 178.4(5) 4_575 .
O6 C9 C11 C10 -160.7(7) . .
O5 C9 C11 C10 21.9(10) . .
O6 C9 C11 N7 14.3(9) . .
O5 C9 C11 N7 -163.1(6) . .
O6 C9 C11 C12 14.3(9) . .
O5 C9 C11 C12 -163.1(6) . .
C10 C11 C12 C12 -3.4(7) . 4_575
C9 C11 C12 C12 -178.8(4) . 4_575
C14 C14 C15 C16 2.9(7) 4_575 .
C14 C14 C15 C13 -178.3(4) 4_575 .
O7 C13 C15 N8 -21.9(8) . .
O8 C13 C15 N8 166.9(6) . .
O7 C13 C15 C14 -21.9(8) . .
O8 C13 C15 C14 166.9(6) . .
O7 C13 C15 C16 156.9(5) . .
O8 C13 C15 C16 -14.2(8) . .
N8 C15 C16 C16 -2.7(7) . 4_575
C14 C15 C16 C16 -2.7(7) . 4_575
C13 C15 C16 C16 178.4(4) . 4_575
O10 C17 C18 N1 9.6(8) . .
O9 C17 C18 N1 178.1(6) . .
Nd1 C17 C18 N1 77.0(18) . .
O10 C17 C18 C19 -166.9(6) . .
O9 C17 C18 C19 1.5(9) . .
Nd1 C17 C18 C19 -99.5(18) . .
N1 C18 C19 C20 -4.2(9) . .
C17 C18 C19 C20 172.0(6) . .
C18 C19 C20 C21 5.2(9) . .
C19 C20 C21 C22 2.7(9) . .
C19 C20 C21 C23 -178.8(5) . .
C20 C21 C22 N1 -13.2(9) . .
C23 C21 C22 N1 168.3(6) . .
C22 C21 C23 O11 -166.2(6) . .
C20 C21 C23 O11 15.4(9) . .
C22 C21 C23 O12 13.8(8) . .
C20 C21 C23 O12 -164.6(6) . .
O13 C24 C25 C26 -165.2(6) . .
O14 C24 C25 C26 19.2(8) . .
O13 C24 C25 C29 9.6(8) . .
O14 C24 C25 C29 -166.0(5) . .
C29 C25 C26 C27 4.7(8) . .
C24 C25 C26 C27 179.6(5) . .
C25 C26 C27 C28 1.4(9) . .
C26 C27 C28 N2 -4.7(10) . .
C26 C27 C28 C30 174.1(6) . .
C26 C25 C29 N2 -8.3(8) . .
C24 C25 C29 N2 176.6(5) . .
N2 C28 C30 O16 -177.8(6) . .
C27 C28 C30 O16 3.4(10) . .
N2 C28 C30 O15 10.1(8) . .
C27 C28 C30 O15 -168.7(6) . .
N2 C28 C30 Nd4 58.4(19) . 3_676
C27 C28 C30 Nd4 -120.4(16) . 3_676
O18 C31 C32 C33 172.0(6) . .
O17 C31 C32 C33 -4.7(9) . .
O18 C31 C32 N3 -4.0(8) . .
O17 C31 C32 N3 179.3(5) . .
N3 C32 C33 C34 5.6(10) . .
C31 C32 C33 C34 -169.7(6) . .
C32 C33 C34 C35 -7.1(10) . .
C33 C34 C35 C36 3.2(9) . .
C33 C34 C35 C37 179.9(6) . .
C34 C35 C36 N3 2.6(8) . .
C37 C35 C36 N3 -174.1(5) . .
C34 C35 C37 O19 -19.6(9) . .
C36 C35 C37 O19 156.9(5) . .
C34 C35 C37 O20 167.5(6) . .
C36 C35 C37 O20 -16.0(8) . .
O22 C38 C39 N4 -5.4(8) . .
O21 C38 C39 N4 171.5(6) . .
O22 C38 C39 C40 -172.6(5) . .
O21 C38 C39 C40 4.3(8) . .
N4 C39 C40 C41 0.5(9) . .
C38 C39 C40 C41 167.5(6) . .
C39 C40 C41 C42 4.4(10) . .
C40 C41 C42 C43 0.6(10) . .
C40 C41 C42 C44 176.4(7) . .
C41 C42 C43 N4 -11.4(10) . .
C44 C42 C43 N4 172.4(6) . .
C41 C42 C44 O24 -158.4(7) . .
C43 C42 C44 O24 17.2(11) . .
C41 C42 C44 O23 20.8(11) . .
C43 C42 C44 O23 -163.6(6) . .
C19 C18 N1 C22 -5.3(9) . .
C17 C18 N1 C22 178.2(5) . .
C19 C18 N1 Nd2 179.7(4) . .
C17 C18 N1 Nd2 3.1(7) . .
C21 C22 N1 C18 14.2(9) . .
C21 C22 N1 Nd2 -170.9(5) . .
C25 C29 N2 C28 5.2(9) . .
C25 C29 N2 Nd1 -174.7(4) . 3_776
C27 C28 N2 C29 1.4(9) . .
C30 C28 N2 C29 -177.5(5) . .
C27 C28 N2 Nd1 -178.7(5) . 3_776
C30 C28 N2 Nd1 2.5(7) . 3_776
C35 C36 N3 C32 -4.1(7) . .
C35 C36 N3 Nd3 179.7(4) . .
C33 C32 N3 C36 -0.3(9) . .
C31 C32 N3 C36 175.6(4) . .
C33 C32 N3 Nd3 176.0(5) . .
C31 C32 N3 Nd3 -8.1(6) . .
C40 C39 N4 C43 -10.8(9) . .
C38 C39 N4 C43 -178.3(5) . .
C40 C39 N4 Nd4 -176.1(4) . .
C38 C39 N4 Nd4 16.4(7) . .
C42 C43 N4 C39 17.1(10) . .
C42 C43 N4 Nd4 -178.6(5) . .
C2 C3 N5 N5 3.3(9) . 4_575
C1 C3 N5 N5 -179.3(5) . 4_575
C8 C7 N6 N6 8.1(8) . 4_575
C5 C7 N6 N6 177.8(4) . 4_575
C10 C11 N7 N7 -3.4(7) . 4_575
C9 C11 N7 N7 -178.8(4) . 4_575
C16 C15 N8 N8 2.9(7) . 4_575
C13 C15 N8 N8 -178.3(4) . 4_575
O2 C1 O1 Nd1 -39.2(9) . .
C3 C1 O1 Nd1 139.7(5) . .
O1 C1 O2 Nd2 -52.1(9) . .
C3 C1 O2 Nd2 128.9(5) . .
O4 C5 O3 Nd2 14.5(10) . .
C7 C5 O3 Nd2 -159.2(5) . .
O3 C5 O4 Nd3 53.0(8) . .
C7 C5 O4 Nd3 -133.4(5) . .
O6 C9 O5 Nd3 -22.5(14) . .
C11 C9 O5 Nd3 154.4(5) . .
O5 C9 O6 Nd4 -40.1(13) . .
C11 C9 O6 Nd4 143.2(5) . .
O8 C13 O7 Nd4 19.3(10) . .
C15 C13 O7 Nd4 -151.5(5) . .
O7 C13 O8 Nd1 55.7(8) . 1_455
C15 C13 O8 Nd1 -134.0(4) . 1_455
O10 C17 O9 Nd1 1.9(6) . .
C18 C17 O9 Nd1 -166.5(5) . .
O9 C17 O10 Nd2 171.1(4) . .
C18 C17 O10 Nd2 -20.1(8) . .
Nd1 C17 O10 Nd2 173.1(5) . .
O9 C17 O10 Nd1 -2.0(6) . .
C18 C17 O10 Nd1 166.8(4) . .
O12 C23 O11 Nd3 -72.9(8) . 3_675
C21 C23 O11 Nd3 107.1(6) . 3_675
O11 C23 O12 Nd2 -3.4(9) . 3_675
C21 C23 O12 Nd2 176.6(4) . 3_675
O14 C24 O13 Nd1 -14.7(10) . .
C25 C24 O13 Nd1 170.4(4) . .
O13 C24 O14 Nd2 -59.7(9) . .
C25 C24 O14 Nd2 115.4(5) . .
O16 C30 O15 Nd1 166.3(4) . 3_776
C28 C30 O15 Nd1 -20.8(7) . 3_776
Nd4 C30 O15 Nd1 171.5(4) 3_676 3_776
O16 C30 O15 Nd4 -5.3(5) . 3_676
C28 C30 O15 Nd4 167.6(4) . 3_676
O15 C30 O16 Nd4 5.1(5) . 3_676
C28 C30 O16 Nd4 -166.7(5) . 3_676
O18 C31 O17 Nd2 -6.5(6) . .
C32 C31 O17 Nd2 170.3(5) . .
O17 C31 O18 Nd2 7.0(6) . .
C32 C31 O18 Nd2 -169.7(4) . .
O17 C31 O18 Nd3 -167.6(4) . .
C32 C31 O18 Nd3 15.7(7) . .
Nd2 C31 O18 Nd3 -174.6(4) . .
O20 C37 O19 Nd4 62.0(8) . 3_676
C35 C37 O19 Nd4 -110.5(7) . 3_676
O19 C37 O20 Nd3 17.5(10) . 3_676
C35 C37 O20 Nd3 -169.6(4) . 3_676
O22 C38 O21 Nd3 3.9(6) . .
C39 C38 O21 Nd3 -172.7(4) . .
O21 C38 O22 Nd4 171.3(4) . .
C39 C38 O22 Nd4 -11.9(7) . .
Nd3 C38 O22 Nd4 175.3(5) . .
O21 C38 O22 Nd3 -3.9(6) . .
C39 C38 O22 Nd3 172.8(4) . .
O24 C44 O23 Nd1 -69.3(9) . 3_675
C42 C44 O23 Nd1 111.5(6) . 3_675
O23 C44 O24 Nd4 -2.6(11) . 3_575
C42 C44 O24 Nd4 176.6(5) . 3_575
W6 O23A Si1 O22A 59.6(2) . .
W7 O23A Si1 O22A -176.3(3) . .
W7 O23A Si1 O22A -64.5(4) 4_585 .
W6 O23A Si1 O22A -59.6(2) . 4_585
W7 O23A Si1 O22A 64.5(4) . 4_585
W7 O23A Si1 O22A 176.3(3) 4_585 4_585
W6 O23A Si1 O21A 180.000(1) . .
W7 O23A Si1 O21A -55.9(3) . .
W7 O23A Si1 O21A 55.9(3) 4_585 .
W4 O22A Si1 O23A -178.3(3) . .
W5 O22A Si1 O23A -57.3(4) . .
W1 O22A Si1 O23A 61.2(4) 4_585 .
W4 O22A Si1 O22A -59.8(5) . 4_585
W5 O22A Si1 O22A 61.2(5) . 4_585
W1 O22A Si1 O22A 179.68(7) 4_585 4_585
W4 O22A Si1 O21A 58.3(4) . .
W5 O22A Si1 O21A 179.3(3) . .
W1 O22A Si1 O21A -62.2(5) 4_585 .
W2 O21A Si1 O23A -58.6(4) 4_585 .
W2 O21A Si1 O23A 58.6(4) . .
W3 O21A Si1 O23A 180.000(1) . .
W2 O21A Si1 O22A 61.9(5) 4_585 .
W2 O21A Si1 O22A 179.1(3) . .
W3 O21A Si1 O22A -59.5(2) . .
W2 O21A Si1 O22A -179.1(3) 4_585 4_585
W2 O21A Si1 O22A -61.9(5) . 4_585
W3 O21A Si1 O22A 59.5(2) . 4_585
W1 O15A W2 O2A 132.2(8) . .
W1 O15A W2 O9A -128.7(9) . .
W1 O15A W2 O16A -37.3(14) . .
W1 O15A W2 O8A 31.7(8) . .
W1 O15A W2 O21A -56.5(8) . .
W3 O9A W2 O2A -169.8(3) . .
W3 O9A W2 O15A 88.8(3) . .
W3 O9A W2 O16A -68.7(3) . .
W3 O9A W2 O8A 13.8(8) . .
W3 O9A W2 O21A 4.1(3) . .
W4 O10A W3 O3A 123.9(11) . .
W4 O10A W3 O10A 27.4(12) . 4_585
W4 O10A W3 O9A -40.5(14) . .
W4 O10A W3 O9A -128.4(10) . 4_585
W4 O10A W3 O21A -56.5(10) . .
W5 O11A W4 O4A -176.6(4) . .
W5 O11A W4 O18A -73.0(4) . .
W5 O11A W4 O17A 81.9(4) . .
W5 O11A W4 O10A 14.3(9) . .
W5 O11A W4 O22A 1.4(3) . .
W1 O18A W4 O4A 170.2(4) 4_585 .
W1 O18A W4 O11A 68.5(4) 4_585 .
W1 O18A W4 O17A -7.7(9) 4_585 .
W1 O18A W4 O10A -86.7(4) 4_585 .
W1 O18A W4 O22A -4.1(3) 4_585 .
W1 O20A W5 O5A -176.4(5) 4_585 .
W1 O20A W5 O12A 77.1(5) 4_585 .
W1 O20A W5 O19A 5.5(13) 4_585 .
W1 O20A W5 O11A -75.6(5) 4_585 .
W1 O20A W5 O22A -3.1(4) 4_585 .
W6 O12A W5 O5A 124.4(9) . .
W6 O12A W5 O20A -135.6(9) . .
W6 O12A W5 O19A 22.9(9) . .
W6 O12A W5 O11A -53.1(12) . .
W6 O12A W5 O22A -62.5(9) . .
W5 O19A W5 O5A -138.2(13) 4_585 .
W5 O19A W5 O20A 40(2) 4_585 .
W5 O19A W5 O12A -34.1(13) 4_585 .
W5 O19A W5 O11A 119.3(14) 4_585 .
W5 O19A W5 O22A 48.1(13) 4_585 .
W5 O12A W6 O6A -115.5(10) . .
W5 O12A W6 O12A -19.7(11) . 4_585
W5 O12A W6 O13A 110.6(9) . .
W5 O12A W6 O23A 61.6(9) . .
W2 O8A W7 O7A 129.2(5) . .
W2 O8A W7 O14A 33.4(5) . .
W2 O8A W7 O13A -100.4(6) . .
W2 O8A W7 O23A -53.0(5) . .
W1 O14A W7 O7A -131.3(5) . .
W1 O14A W7 O8A -32.3(5) . .
W1 O14A W7 O13A 107.8(5) . .
W1 O14A W7 O23A 55.8(5) . .
