#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:54:49 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229212 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/63/7046330.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_7046330
loop_
_publ_author_name
'Wang, Jin'
'Shi, Wenjie'
'Li, Shujie'
'Mao, Qiyun'
'Ma, Pengtao'
'Niu, Jingyang'
'Wang, Jingping'
_publ_section_title
;
 Construction of a new binding manner in carboxylic acid-functionalized
 phosphomolybdates.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7949
_journal_page_last               7955
_journal_paper_doi               10.1039/c8dt01540f
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C28 H12 Cs3.5 Mo18 N4 O90.5 P3, 11.5(O)'
_chemical_formula_sum            'C28 H54 Cs3.5 Mo18 N4 O102 P3'
_chemical_formula_weight         4363.76
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-11-11
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2018-03-30 deposited with the CCDC.
2018-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                96.4300(10)
_cell_angle_beta                 94.7450(10)
_cell_angle_gamma                96.2270(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2276(10)
_cell_length_b                   17.7227(14)
_cell_length_c                   33.640(3)
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      2.27
_cell_volume                     7168.1(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_unetI/netI     0.0520
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            36984
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.100
_diffrn_reflns_theta_max         25.100
_diffrn_reflns_theta_min         1.790
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.523
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.3908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1002 before and 0.0379 after correction.
The Ratio of minimum to maximum transmission is 0.5241.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.022
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4119
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.45
_refine_diff_density_max         3.635
_refine_diff_density_min         -3.258
_refine_diff_density_rms         0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     769
_refine_ls_number_reflns         25255
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0754
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1242P)²+106.2531P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2065
_refine_ls_wR_factor_ref         0.2268
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19673
_reflns_number_total             25255
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt01540f2.cif
_cod_data_source_block           njy1
_cod_depositor_comments
'Adding full bibliography for 7046330--7046333.cif.'
_cod_original_cell_volume        7168.0(10)
_cod_original_formula_sum        'C28 H54 Cs3.50 Mo18 N4 O102 P3'
_cod_database_code               7046330
_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.
;
_shelx_estimated_absorpt_t_max   0.396
_shelx_estimated_absorpt_t_min   0.365
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: Cs2(0.5) Cs3(0.5) Cs4(0.5) Cs5(0.5) Cs6(0.5) Cs7(0.25) Cs8(0.25)
 O21W(0.5) O22W(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12), C17(H17), C18(H18),
 C19(H19), C24(H24), C25(H25), C26(H26)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Mo1 Mo 0.71518(9) 1.59713(6) 0.68203(3) 0.0424(3) Uani 1 1 d . . .
Mo2 Mo 0.85349(7) 1.61198(5) 0.78217(3) 0.0318(2) Uani 1 1 d . . .
Mo3 Mo 0.70371(8) 1.59354(5) 0.86085(3) 0.0333(2) Uani 1 1 d . . .
Mo4 Mo 0.40643(8) 1.54724(6) 0.84393(3) 0.0384(2) Uani 1 1 d . . .
Mo5 Mo 0.27743(8) 1.53981(6) 0.75046(3) 0.0416(3) Uani 1 1 d . . .
Mo6 Mo 0.43811(10) 1.56846(6) 0.66633(3) 0.0446(3) Uani 1 1 d . . .
Mo7 Mo -0.00391(7) 1.15419(6) 0.66165(3) 0.0325(2) Uani 1 1 d . . .
Mo9 Mo 0.17962(8) 0.84906(5) 0.65483(3) 0.0341(2) Uani 1 1 d . . .
Mo8 Mo 0.03390(7) 0.99567(6) 0.70455(3) 0.0330(2) Uani 1 1 d . . .
Mo10 Mo 0.31665(8) 0.88517(6) 0.57497(3) 0.0358(2) Uani 1 1 d . . .
Mo11 Mo 0.28895(9) 1.05860(6) 0.53125(3) 0.0366(2) Uani 1 1 d . . .
Mo12 Mo 0.12865(8) 1.18561(6) 0.57025(3) 0.0358(2) Uani 1 1 d . . .
Mo13 Mo 0.65758(8) 1.23894(6) 0.96464(3) 0.0350(2) Uani 1 1 d . . .
Mo14 Mo 0.81593(7) 1.09988(5) 0.94095(3) 0.0287(2) Uani 1 1 d . . .
Mo15 Mo 0.69423(7) 0.91919(5) 0.88835(3) 0.0272(2) Uani 1 1 d . . .
Mo16 Mo 0.42086(7) 0.88656(5) 0.86306(3) 0.0303(2) Uani 1 1 d . . .
Mo17 Mo 0.25207(8) 1.03481(6) 0.88885(3) 0.0369(2) Uani 1 1 d . . .
Mo18 Mo 0.36679(9) 1.20522(6) 0.93642(3) 0.0418(3) Uani 1 1 d . . .
Cs1 Cs 0.5000 1.0000 1.0000 0.0817(5) Uani 1 2 d S T P
Cs2 Cs -0.02152(15) 0.91138(14) 0.54565(5) 0.0684(6) Uani 0.5 1 d . . .
Cs3 Cs 0.2438(2) 1.35248(15) 0.66488(8) 0.0838(6) Uiso 0.5 1 d . . .
Cs4 Cs 0.0569(3) 1.62682(19) 0.68623(10) 0.1102(9) Uiso 0.5 1 d . . .
Cs5 Cs 0.5427(2) 0.74113(14) 0.93446(7) 0.0781(6) Uiso 0.5 1 d . . .
Cs6 Cs 0.4109(3) 1.7808(2) 0.74217(12) 0.1276(11) Uiso 0.5 1 d . . .
Cs7 Cs 0.1764(4) 0.6922(3) 0.83916(15) 0.0807(12) Uiso 0.25 1 d . . .
Cs8 Cs 0.1392(6) 1.0984(4) 0.9970(2) 0.1093(18) Uiso 0.25 1 d . . .
P1 P 0.5677(2) 1.55743(15) 0.76301(8) 0.0282(5) Uani 1 1 d . . .
P2 P 0.1805(2) 1.03054(15) 0.62251(7) 0.0270(5) Uani 1 1 d . . .
P3 P 0.5438(2) 1.07525(15) 0.89761(8) 0.0255(5) Uani 1 1 d . . .
N1 N 0.3162(7) 1.2648(5) 0.7489(3) 0.0331(19) Uiso 1 1 d . . .
N2 N 0.4907(8) 1.3034(5) 0.6398(3) 0.035(2) Uiso 1 1 d . . .
N3 N 0.7721(7) 1.3297(5) 0.8411(3) 0.0308(19) Uiso 1 1 d . . .
N4 N 0.5151(7) 0.9569(5) 0.7339(3) 0.0321(19) Uiso 1 1 d . . .
O1 O 0.7298(9) 1.6941(6) 0.6939(3) 0.063(3) Uiso 1 1 d . . .
O2 O 0.5818(8) 1.5856(5) 0.6468(3) 0.053(2) Uiso 1 1 d . . .
O3 O 0.3611(9) 1.5396(6) 0.6222(3) 0.069(3) Uiso 1 1 d . . .
O4 O 0.2638(8) 1.6343(5) 0.7513(3) 0.057(2) Uiso 1 1 d . . .
O5 O 0.3530(8) 1.5034(6) 0.8816(3) 0.058(2) Uiso 1 1 d . . .
O6 O 0.8092(9) 1.5831(6) 0.6472(3) 0.070(3) Uiso 1 1 d . . .
O7 O 0.1489(8) 1.4955(5) 0.7334(3) 0.057(2) Uiso 1 1 d . . .
O8 O 0.9909(7) 1.6034(5) 0.7805(3) 0.050(2) Uiso 1 1 d . . .
O9 O 0.3494(7) 1.5250(5) 0.7029(3) 0.0446(19) Uiso 1 1 d . . .
O10 O 0.6733(7) 1.4678(5) 0.6771(3) 0.0446(19) Uiso 1 1 d . . .
O11 O 0.8442(6) 1.6119(4) 0.8386(2) 0.0370(17) Uiso 1 1 d . . .
O12 O 0.7516(8) 1.5757(6) 0.9076(3) 0.058(2) Uiso 1 1 d . . .
O13 O 0.4148(9) 1.6616(6) 0.6761(3) 0.068(3) Uiso 1 1 d . . .
O14 O 0.5712(6) 1.5861(4) 0.7223(2) 0.0364(17) Uiso 1 1 d . . .
O15 O 0.8279(6) 1.4824(4) 0.7853(2) 0.0379(17) Uiso 1 1 d . . .
O16 O 0.6740(7) 1.6846(5) 0.8681(3) 0.047(2) Uiso 1 1 d . . .
O17 O 0.4278(7) 1.4254(5) 0.8128(3) 0.0443(19) Uiso 1 1 d . . .
O18 O 0.5585(6) 1.5414(4) 0.8551(2) 0.0385(17) Uiso 1 1 d . . .
O19 O 0.3313(7) 1.4199(5) 0.7534(2) 0.0431(19) Uiso 1 1 d . . .
O20 O 0.4065(8) 1.6424(5) 0.8589(3) 0.056(2) Uiso 1 1 d . . .
O21 O 0.6670(6) 1.5945(4) 0.7917(2) 0.0314(16) Uiso 1 1 d . . .
O22 O 0.7983(6) 1.5734(4) 0.7283(2) 0.0366(17) Uiso 1 1 d . . .
O23 O 0.4595(6) 1.5688(4) 0.7809(2) 0.0336(16) Uiso 1 1 d . . .
O24 O 0.7299(7) 1.4719(5) 0.8376(2) 0.0418(18) Uiso 1 1 d . . .
O25 O 0.2739(7) 1.5314(5) 0.8066(3) 0.046(2) Uiso 1 1 d . . .
O26 O 0.8454(7) 1.7062(5) 0.7796(3) 0.047(2) Uiso 1 1 d . . .
O27 O 0.4892(7) 1.4510(5) 0.6654(3) 0.048(2) Uiso 1 1 d . . .
O28 O 0.1338(8) 1.2796(5) 0.5619(3) 0.056(2) Uiso 1 1 d . . .
O29 O 0.4256(8) 0.8419(5) 0.5586(3) 0.054(2) Uiso 1 1 d . . .
O30 O -0.0810(8) 0.9397(5) 0.6809(3) 0.056(2) Uiso 1 1 d . . .
O31 O 0.3874(8) 1.0741(6) 0.4991(3) 0.061(2) Uiso 1 1 d . . .
O32 O -0.0438(7) 1.2373(5) 0.6840(3) 0.050(2) Uiso 1 1 d . . .
O33 O -0.0205(6) 1.0935(4) 0.7047(2) 0.0386(18) Uiso 1 1 d . . .
O34 O 0.1987(8) 0.7798(5) 0.6855(3) 0.052(2) Uiso 1 1 d . . .
O35 O 0.2127(7) 0.8539(5) 0.5381(3) 0.046(2) Uiso 1 1 d . . .
O36 O 0.0293(7) 0.9856(5) 0.7543(3) 0.050(2) Uiso 1 1 d . . .
O37 O 0.2715(7) 0.8188(5) 0.6142(2) 0.0409(18) Uiso 1 1 d . . .
O38 O 0.1958(6) 0.9464(4) 0.6135(2) 0.0306(15) Uiso 1 1 d . . .
O39 O 0.4015(7) 1.1312(5) 0.5801(3) 0.0437(19) Uiso 1 1 d . . .
O40 O 0.2258(7) 1.1520(5) 0.5306(3) 0.0441(19) Uiso 1 1 d . . .
O41 O 0.1855(7) 0.9983(5) 0.5025(3) 0.049(2) Uiso 1 1 d . . .
O42 O 0.3425(7) 0.9101(5) 0.6821(2) 0.0422(19) Uiso 1 1 d . . .
O43 O 0.0070(8) 1.1435(5) 0.5451(3) 0.054(2) Uiso 1 1 d . . .
O44 O 0.3496(6) 0.9854(4) 0.5611(2) 0.0371(17) Uiso 1 1 d . . .
O45 O 0.1749(6) 1.0669(4) 0.5835(2) 0.0342(16) Uiso 1 1 d . . .
O46 O -0.1182(7) 1.1151(5) 0.6309(3) 0.050(2) Uiso 1 1 d . . .
O47 O 0.2987(6) 1.2178(4) 0.6070(2) 0.0388(18) Uiso 1 1 d . . .
O48 O 0.1991(6) 1.0770(4) 0.7228(2) 0.0323(16) Uiso 1 1 d . . .
O49 O 0.4338(7) 0.9421(4) 0.6301(2) 0.0392(18) Uiso 1 1 d . . .
O50 O 0.0797(6) 1.0414(4) 0.6449(2) 0.0319(16) Uiso 1 1 d . . .
O51 O 0.1404(6) 0.9292(4) 0.6920(2) 0.0328(16) Uiso 1 1 d . . .
O52 O 0.0873(6) 1.1919(4) 0.6232(2) 0.0386(18) Uiso 1 1 d . . .
O53 O 0.1634(6) 1.1835(4) 0.6964(2) 0.0346(16) Uiso 1 1 d . . .
O54 O 0.0531(8) 0.8188(5) 0.6296(3) 0.054(2) Uiso 1 1 d . . .
O55 O 0.2740(9) 1.0941(6) 0.8291(3) 0.068(3) Uiso 1 1 d . . .
O56 O 0.3754(9) 1.2410(6) 0.8697(3) 0.072(3) Uiso 1 1 d . . .
O57 O 0.3043(10) 1.2859(7) 0.9468(4) 0.080(3) Uiso 1 1 d . . .
O58 O 0.1175(9) 1.0068(6) 0.8711(3) 0.068(3) Uiso 1 1 d . . .
O59 O 0.4285(6) 1.0987(4) 0.9029(2) 0.0350(17) Uiso 1 1 d . . .
O60 O 0.7011(8) 1.3329(6) 0.9796(3) 0.058(2) Uiso 1 1 d . . .
O61 O 0.5168(6) 1.2443(4) 0.9369(2) 0.0392(18) Uiso 1 1 d . . .
O62 O 0.3507(7) 0.8153(5) 0.8285(3) 0.048(2) Uiso 1 1 d . . .
O63 O 0.6136(8) 1.2049(5) 1.0064(3) 0.054(2) Uiso 1 1 d . . .
O64 O 0.5423(6) 0.9891(4) 0.8952(2) 0.0282(15) Uiso 1 1 d . . .
O65 O 0.5643(6) 0.8524(4) 0.8650(2) 0.0323(16) Uiso 1 1 d . . .
O66 O 0.7947(7) 0.8689(5) 0.8714(3) 0.0441(19) Uiso 1 1 d . . .
O67 O 0.8091(6) 1.1647(4) 0.8860(2) 0.0332(16) Uiso 1 1 d . . .
O68 O 0.3728(8) 1.1655(5) 0.9804(3) 0.053(2) Uiso 1 1 d . . .
O69 O 0.7727(6) 1.0198(4) 0.8984(2) 0.0272(14) Uiso 1 1 d . . .
O70 O 0.2418(7) 1.1394(5) 0.9076(3) 0.0443(19) Uiso 1 1 d . . .
O71 O 0.7042(6) 1.2571(4) 0.9021(2) 0.0359(17) Uiso 1 1 d . . .
O72 O 0.9562(7) 1.1082(5) 0.9411(3) 0.045(2) Uiso 1 1 d . . .
O73 O 0.3284(6) 0.9662(4) 0.8579(2) 0.0326(16) Uiso 1 1 d . . .
O74 O 0.2638(7) 0.9993(5) 0.9335(3) 0.048(2) Uiso 1 1 d . . .
O75 O 0.8000(6) 1.2003(4) 0.9664(2) 0.0356(17) Uiso 1 1 d . . .
O76 O 0.4886(6) 0.9392(4) 0.8106(2) 0.0338(16) Uiso 1 1 d . . .
O77 O 0.6286(6) 1.1157(4) 0.9314(2) 0.0312(15) Uiso 1 1 d . . .
O78 O 0.6874(7) 0.9008(4) 0.9366(2) 0.0400(18) Uiso 1 1 d . . .
O79 O 0.3858(7) 0.8623(5) 0.9088(3) 0.050(2) Uiso 1 1 d . . .
O80 O 0.6727(6) 0.9617(4) 0.8268(2) 0.0300(15) Uiso 1 1 d . . .
O81 O 0.7895(7) 1.0499(5) 0.9804(3) 0.0444(19) Uiso 1 1 d . . .
C1 C 0.3859(9) 1.3925(6) 0.7798(3) 0.033(2) Uiso 1 1 d . . .
C2 C 0.4011(9) 1.3092(6) 0.7706(3) 0.036(2) Uiso 1 1 d . . .
C3 C 0.4986(12) 1.2796(8) 0.7821(4) 0.051(3) Uiso 1 1 d . . .
H3 H 0.5586 1.3115 0.7958 0.061 Uiso 1 1 calc R . .
C4 C 0.5045(12) 1.2045(8) 0.7730(4) 0.055(3) Uiso 1 1 d . . .
H4 H 0.5684 1.1839 0.7810 0.066 Uiso 1 1 calc R . .
C5 C 0.4156(11) 1.1575(8) 0.7519(4) 0.049(3) Uiso 1 1 d . . .
H5 H 0.4184 1.1054 0.7454 0.059 Uiso 1 1 calc R . .
C6 C 0.3231(9) 1.1907(6) 0.7408(3) 0.032(2) Uiso 1 1 d . . .
C7 C 0.2197(8) 1.1456(6) 0.7184(3) 0.029(2) Uiso 1 1 d . . .
C8 C 0.5834(10) 1.4279(7) 0.6676(4) 0.039(3) Uiso 1 1 d . . .
C9 C 0.5845(9) 1.3420(6) 0.6582(3) 0.037(2) Uiso 1 1 d . . .
C10 C 0.6782(12) 1.3090(8) 0.6673(4) 0.052(3) Uiso 1 1 d . . .
H10 H 0.7408 1.3378 0.6810 0.063 Uiso 1 1 calc R . .
C11 C 0.6774(13) 1.2324(8) 0.6555(4) 0.059(4) Uiso 1 1 d . . .
H11 H 0.7401 1.2086 0.6611 0.070 Uiso 1 1 calc R . .
C12 C 0.5822(11) 1.1902(8) 0.6352(4) 0.052(3) Uiso 1 1 d . . .
H12 H 0.5796 1.1382 0.6270 0.062 Uiso 1 1 calc R . .
C13 C 0.4912(9) 1.2294(6) 0.6279(3) 0.035(2) Uiso 1 1 d . . .
C14 C 0.3888(9) 1.1904(6) 0.6037(3) 0.035(2) Uiso 1 1 d . . .
C15 C 0.7827(9) 1.4462(6) 0.8105(3) 0.030(2) Uiso 1 1 d . . .
C16 C 0.7963(8) 1.3624(6) 0.8087(3) 0.027(2) Uiso 1 1 d . . .
C17 C 0.8335(9) 1.3224(6) 0.7756(3) 0.035(2) Uiso 1 1 d . . .
H17 H 0.8504 1.3469 0.7534 0.042 Uiso 1 1 calc R . .
C18 C 0.8452(9) 1.2458(6) 0.7758(3) 0.037(2) Uiso 1 1 d . . .
H18 H 0.8674 1.2176 0.7536 0.045 Uiso 1 1 calc R . .
C19 C 0.8239(9) 1.2126(7) 0.8091(3) 0.038(3) Uiso 1 1 d . . .
H19 H 0.8332 1.1614 0.8102 0.046 Uiso 1 1 calc R . .
C20 C 0.7879(8) 1.2558(6) 0.8417(3) 0.027(2) Uiso 1 1 d . . .
C21 C 0.7652(9) 1.2237(6) 0.8802(3) 0.033(2) Uiso 1 1 d . . .
C22 C 0.4263(9) 0.9380(6) 0.6661(3) 0.031(2) Uiso 1 1 d . . .
C23 C 0.5264(8) 0.9688(6) 0.6959(3) 0.030(2) Uiso 1 1 d . . .
C24 C 0.6207(9) 1.0069(6) 0.6836(3) 0.037(2) Uiso 1 1 d . . .
H24 H 0.6250 1.0149 0.6569 0.044 Uiso 1 1 calc R . .
C25 C 0.7079(10) 1.0325(7) 0.7126(4) 0.041(3) Uiso 1 1 d . . .
H25 H 0.7716 1.0598 0.7057 0.049 Uiso 1 1 calc R . .
C26 C 0.6997(9) 1.0172(6) 0.7525(3) 0.036(2) Uiso 1 1 d . . .
H26 H 0.7580 1.0325 0.7723 0.043 Uiso 1 1 calc R . .
C27 C 0.6027(8) 0.9788(6) 0.7611(3) 0.028(2) Uiso 1 1 d . . .
C28 C 0.5884(8) 0.9587(6) 0.8024(3) 0.027(2) Uiso 1 1 d . . .
O1W O 0.8285(8) 0.1767(5) 0.0581(3) 0.054(2) Uiso 1 1 d . . .
O2W O 0.5600(8) 0.3810(5) 0.8874(3) 0.052(2) Uiso 1 1 d . . .
O3W O 0.8561(7) 0.8753(5) 0.7821(2) 0.0423(19) Uiso 1 1 d . . .
O4W O 0.2839(8) 0.9575(5) 0.7688(3) 0.056(2) Uiso 1 1 d . . .
O5W O 0.9115(8) 0.0364(5) 0.8321(3) 0.052(2) Uiso 1 1 d . . .
O6W O 0.2321(10) 0.8549(7) 0.4481(4) 0.080(3) Uiso 1 1 d . . .
O7W O 0.6170(12) 1.7729(8) 0.7907(4) 0.100(4) Uiso 1 1 d . . .
O8W O 0.0861(10) 0.1539(7) 0.7987(4) 0.075(3) Uiso 1 1 d . . .
O9W O 0.0566(11) 0.2092(8) 0.8824(4) 0.093(4) Uiso 1 1 d . . .
O10W O 0.4025(10) -0.0195(7) 0.4260(4) 0.081(3) Uiso 1 1 d . . .
O11W O -0.0747(10) 1.4445(7) 0.7013(4) 0.081(3) Uiso 1 1 d . . .
O12W O -0.0050(13) 1.0683(9) 1.0589(5) 0.106(4) Uiso 1 1 d . . .
O13W O 0.8394(13) 0.4318(9) 0.9261(5) 0.109(5) Uiso 1 1 d . . .
O14W O 0.1383(13) 0.8203(9) 0.7722(5) 0.108(5) Uiso 1 1 d . . .
O15W O -0.0521(14) 1.7774(9) 0.7108(5) 0.113(5) Uiso 1 1 d . . .
O16W O 0.0965(14) 1.3127(9) 0.7571(5) 0.114(5) Uiso 1 1 d . . .
O17W O 0.4238(17) 0.8027(11) 0.4734(6) 0.144(7) Uiso 1 1 d . . .
O18W O -0.1771(17) 0.9502(12) 0.5998(6) 0.150(7) Uiso 1 1 d . . .
O19W O 0.0867(15) 0.4350(10) 0.8146(6) 0.128(6) Uiso 1 1 d . . .
O20W O 0.9428(19) -0.2450(13) 0.8859(7) 0.161(8) Uiso 1 1 d . . .
O21W O 0.506(2) 0.4458(15) 0.9563(8) 0.085(7) Uiso 0.5 1 d . . .
O22W O 0.373(3) 1.3869(17) 0.5695(9) 0.105(9) Uiso 0.5 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Mo1 Cs4 84.1(4) . 1_655
O1 Mo1 O2 98.8(5) . .
O1 Mo1 O6 103.4(5) . .
O1 Mo1 O10 168.0(4) . .
O1 Mo1 O14 89.9(4) . .
O1 Mo1 O22 97.8(4) . .
O2 Mo1 Cs4 143.9(3) . 1_655
O2 Mo1 O10 80.7(4) . .
O2 Mo1 O14 73.6(3) . .
O6 Mo1 Cs4 45.4(4) . 1_655
O6 Mo1 O2 99.8(5) . .
O6 Mo1 O10 88.4(4) . .
O6 Mo1 O14 166.0(4) . .
O6 Mo1 O22 99.3(4) . .
O10 Mo1 Cs4 103.4(2) . 1_655
O10 Mo1 O14 78.5(3) . .
O14 Mo1 Cs4 142.5(2) . 1_655
O22 Mo1 Cs4 61.6(2) . 1_655
O22 Mo1 O2 151.0(4) . .
O22 Mo1 O10 78.2(3) . .
O22 Mo1 O14 82.8(3) . .
Cs4 Mo2 Cs7 75.21(9) 1_655 1_665
O8 Mo2 Cs4 49.5(3) . 1_655
O8 Mo2 Cs7 35.8(3) . 1_665
O8 Mo2 O11 99.3(4) . .
O8 Mo2 O15 87.0(4) . .
O8 Mo2 O21 165.2(4) . .
O8 Mo2 O22 100.7(4) . .
O11 Mo2 Cs4 148.0(2) . 1_655
O11 Mo2 Cs7 73.6(2) . 1_665
O11 Mo2 O15 80.2(3) . .
O11 Mo2 O21 73.1(3) . .
O15 Mo2 Cs4 102.0(2) . 1_655
O15 Mo2 Cs7 106.4(2) . 1_665
O15 Mo2 O21 79.3(3) . .
O21 Mo2 Cs4 138.96(19) . 1_655
O21 Mo2 Cs7 144.56(19) . 1_665
O22 Mo2 Cs4 58.8(2) . 1_655
O22 Mo2 Cs7 133.4(2) . 1_665
O22 Mo2 O11 149.5(3) . .
O22 Mo2 O15 78.1(3) . .
O22 Mo2 O21 82.0(3) . .
O26 Mo2 Cs4 85.0(3) . 1_655
O26 Mo2 Cs7 83.5(3) . 1_665
O26 Mo2 O8 104.0(4) . .
O26 Mo2 O11 98.5(4) . .
O26 Mo2 O15 168.9(4) . .
O26 Mo2 O21 89.8(3) . .
O26 Mo2 O22 98.7(4) . .
O11 Mo3 Cs5 129.6(2) . 1_565
O11 Mo3 O21 72.3(3) . .
O11 Mo3 O24 79.5(3) . .
O12 Mo3 Cs5 78.2(3) . 1_565
O12 Mo3 O11 98.8(4) . .
O12 Mo3 O18 101.7(4) . .
O12 Mo3 O21 165.4(4) . .
O12 Mo3 O24 88.1(4) . .
O16 Mo3 Cs5 37.3(3) . 1_565
O16 Mo3 O11 98.8(4) . .
O16 Mo3 O12 103.9(4) . .
O16 Mo3 O18 99.5(4) . .
O16 Mo3 O21 89.1(3) . .
O16 Mo3 O24 168.1(4) . .
O18 Mo3 Cs5 78.6(2) . 1_565
O18 Mo3 O11 148.2(3) . .
O18 Mo3 O21 82.2(3) . .
O18 Mo3 O24 77.2(3) . .
O21 Mo3 Cs5 116.32(18) . 1_565
O24 Mo3 Cs5 149.1(2) . 1_565
O24 Mo3 O21 79.1(3) . .
Cs7 Mo4 Cs5 76.43(8) 1_565 1_565
O5 Mo4 Cs5 88.1(3) . 1_565
O5 Mo4 Cs7 94.3(3) . 1_565
O5 Mo4 O17 87.4(4) . .
O5 Mo4 O18 101.5(4) . .
O5 Mo4 O20 104.5(5) . .
O5 Mo4 O23 161.4(4) . .
O5 Mo4 O25 97.6(4) . .
O17 Mo4 Cs5 147.0(2) . 1_565
O17 Mo4 Cs7 136.5(2) . 1_565
O18 Mo4 Cs5 71.9(2) . 1_565
O18 Mo4 Cs7 143.8(3) . 1_565
O18 Mo4 O17 77.1(3) . .
O18 Mo4 O23 82.6(3) . .
O18 Mo4 O25 150.4(4) . .
O20 Mo4 Cs5 34.6(3) . 1_565
O20 Mo4 Cs7 45.9(3) . 1_565
O20 Mo4 O17 168.0(4) . .
O20 Mo4 O18 98.3(4) . .
O20 Mo4 O23 92.7(4) . .
O20 Mo4 O25 98.5(4) . .
O23 Mo4 Cs5 110.31(19) . 1_565
O23 Mo4 Cs7 92.67(19) . 1_565
O23 Mo4 O17 75.7(3) . .
O25 Mo4 Cs5 131.5(3) . 1_565
O25 Mo4 Cs7 55.2(3) . 1_565
O25 Mo4 O17 81.4(3) . .
O25 Mo4 O23 72.5(3) . .
Cs3 Mo5 Cs6 129.49(7) . .
Cs3 Mo5 Cs7 156.09(9) . 1_565
Cs4 Mo5 Cs3 88.98(7) . .
Cs4 Mo5 Cs6 72.88(7) . .
Cs4 Mo5 Cs7 80.59(9) . 1_565
Cs7 Mo5 Cs6 67.73(9) 1_565 .
O4 Mo5 Cs3 136.4(3) . .
O4 Mo5 Cs4 54.0(3) . .
O4 Mo5 Cs6 27.8(3) . .
O4 Mo5 Cs7 49.7(3) . 1_565
O4 Mo5 O7 103.9(5) . .
O4 Mo5 O9 99.3(4) . .
O4 Mo5 O19 168.9(4) . .
O4 Mo5 O23 90.9(4) . .
O4 Mo5 O25 99.0(4) . .
O7 Mo5 Cs3 60.5(3) . .
O7 Mo5 Cs4 54.9(3) . .
O7 Mo5 Cs6 127.4(3) . .
O7 Mo5 Cs7 96.2(3) . 1_565
O7 Mo5 O9 99.9(4) . .
O7 Mo5 O19 87.3(4) . .
O7 Mo5 O23 164.2(4) . .
O7 Mo5 O25 99.3(4) . .
O9 Mo5 Cs3 51.0(3) . .
O9 Mo5 Cs4 86.3(3) . .
O9 Mo5 Cs6 80.5(3) . .
O9 Mo5 Cs7 147.9(3) . 1_565
O9 Mo5 O19 78.1(3) . .
O9 Mo5 O23 83.0(3) . .
O9 Mo5 O25 149.4(4) . .
O19 Mo5 Cs3 49.4(2) . .
O19 Mo5 Cs4 135.8(2) . .
O19 Mo5 Cs6 142.0(2) . .
O19 Mo5 Cs7 130.4(2) . 1_565
O19 Mo5 O23 78.1(3) . .
O23 Mo5 Cs3 112.10(18) . .
O23 Mo5 Cs4 140.94(19) . .
O23 Mo5 Cs6 68.35(18) . .
O23 Mo5 Cs7 88.95(19) . 1_565
O25 Mo5 Cs3 122.7(3) . .
O25 Mo5 Cs4 124.3(3) . .
O25 Mo5 Cs6 106.0(3) . .
O25 Mo5 Cs7 51.4(3) . 1_565
O25 Mo5 O19 79.2(3) . .
O25 Mo5 O23 72.4(3) . .
Cs3 Mo6 Cs6 127.27(7) . .
O2 Mo6 Cs3 126.4(3) . .
O2 Mo6 Cs6 103.9(3) . .
O2 Mo6 O14 72.4(3) . .
O2 Mo6 O27 80.1(4) . .
O3 Mo6 Cs3 67.1(4) . .
O3 Mo6 Cs6 123.9(4) . .
O3 Mo6 O2 99.3(5) . .
O3 Mo6 O9 101.7(5) . .
O3 Mo6 O13 102.5(5) . .
O3 Mo6 O14 166.3(4) . .
O3 Mo6 O27 89.0(4) . .
O9 Mo6 Cs3 46.0(3) . .
O9 Mo6 Cs6 83.1(3) . .
O9 Mo6 O2 148.7(4) . .
O9 Mo6 O14 82.2(3) . .
O9 Mo6 O27 77.4(3) . .
O13 Mo6 Cs3 134.8(4) . .
O13 Mo6 Cs6 24.4(4) . .
O13 Mo6 O2 98.2(5) . .
O13 Mo6 O9 99.5(5) . .
O13 Mo6 O14 89.6(4) . .
O13 Mo6 O27 168.5(4) . .
O14 Mo6 Cs3 108.64(19) . .
O14 Mo6 Cs6 69.40(19) . .
O27 Mo6 Cs3 49.7(2) . .
O27 Mo6 Cs6 144.8(2) . .
O27 Mo6 O14 79.0(3) . .
O32 Mo7 Cs3 66.5(3) . .
O32 Mo7 O33 98.8(4) . .
O32 Mo7 O50 166.5(4) . .
O32 Mo7 O52 101.3(4) . .
O32 Mo7 O53 89.6(4) . .
O33 Mo7 Cs3 124.5(2) . .
O33 Mo7 O50 73.0(3) . .
O33 Mo7 O53 79.3(3) . .
O46 Mo7 Cs3 135.8(3) . .
O46 Mo7 O32 103.0(4) . .
O46 Mo7 O33 99.1(4) . .
O46 Mo7 O50 89.1(3) . .
O46 Mo7 O52 100.2(4) . .
O46 Mo7 O53 167.4(4) . .
O50 Mo7 Cs3 108.76(18) . .
O52 Mo7 Cs3 46.3(2) . .
O52 Mo7 O33 148.2(3) . .
O52 Mo7 O50 82.2(3) . .
O52 Mo7 O53 76.4(3) . .
O53 Mo7 Cs3 49.16(19) . .
O53 Mo7 O50 78.4(3) . .
Cs6 Mo9 Cs4 70.47(7) 1_545 1_545
O34 Mo9 Cs4 33.6(3) . 1_545
O34 Mo9 Cs6 37.2(3) . 1_545
O34 Mo9 O37 99.2(4) . .
O34 Mo9 O38 167.4(4) . .
O34 Mo9 O42 88.0(4) . .
O34 Mo9 O51 101.3(4) . .
O37 Mo9 Cs4 100.0(2) . 1_545
O37 Mo9 Cs6 88.9(2) . 1_545
O37 Mo9 O38 72.6(3) . .
O37 Mo9 O42 79.9(3) . .
O37 Mo9 O51 147.8(3) . .
O38 Mo9 Cs4 155.31(18) . 1_545
O38 Mo9 Cs6 131.36(19) . 1_545
O42 Mo9 Cs4 121.4(2) . 1_545
O42 Mo9 Cs6 50.9(2) . 1_545
O42 Mo9 O38 81.2(3) . .
O51 Mo9 Cs4 110.8(2) . 1_545
O51 Mo9 Cs6 92.6(2) . 1_545
O51 Mo9 O38 82.5(3) . .
O51 Mo9 O42 76.3(3) . .
O54 Mo9 Cs4 70.2(3) . 1_545
O54 Mo9 Cs6 140.6(3) . 1_545
O54 Mo9 O34 103.4(4) . .
O54 Mo9 O37 99.7(4) . .
O54 Mo9 O38 87.6(4) . .
O54 Mo9 O42 168.4(4) . .
O54 Mo9 O51 99.4(4) . .
O30 Mo8 O33 98.5(4) . .
O30 Mo8 O48 167.5(4) . .
O30 Mo8 O50 92.2(4) . .
O30 Mo8 O51 98.5(4) . .
O33 Mo8 O48 79.8(3) . .
O33 Mo8 O50 73.7(3) . .
O36 Mo8 O30 104.9(5) . .
O36 Mo8 O33 98.7(4) . .
O36 Mo8 O48 87.6(4) . .
O36 Mo8 O50 162.3(4) . .
O36 Mo8 O51 99.4(4) . .
O50 Mo8 O48 75.4(3) . .
O51 Mo8 O33 151.0(3) . .
O51 Mo8 O48 78.5(3) . .
O51 Mo8 O50 82.3(3) . .
O29 Mo10 Cs2 143.9(3) . .
O29 Mo10 O37 99.9(4) . .
O29 Mo10 O38 164.9(4) . .
O29 Mo10 O44 101.6(4) . .
O29 Mo10 O49 87.5(4) . .
O35 Mo10 Cs2 40.4(3) . .
O35 Mo10 O29 103.5(4) . .
O35 Mo10 O37 98.3(4) . .
O35 Mo10 O38 90.7(3) . .
O35 Mo10 O44 97.8(4) . .
O35 Mo10 O49 169.0(4) . .
O37 Mo10 Cs2 89.0(2) . .
O37 Mo10 O38 72.5(3) . .
O37 Mo10 O49 80.6(3) . .
O38 Mo10 Cs2 50.60(18) . .
O44 Mo10 Cs2 86.5(2) . .
O44 Mo10 O37 149.3(3) . .
O44 Mo10 O38 81.3(3) . .
O44 Mo10 O49 78.6(3) . .
O49 Mo10 Cs2 128.6(2) . .
O49 Mo10 O38 78.4(3) . .
Cs2 Mo11 Cs2 65.55(5) 2_576 .
O31 Mo11 Cs2 97.0(3) . 2_576
O31 Mo11 Cs2 143.1(3) . .
O31 Mo11 O39 88.6(4) . .
O31 Mo11 O40 99.1(4) . .
O31 Mo11 O41 104.0(5) . .
O31 Mo11 O44 101.0(4) . .
O31 Mo11 O45 165.6(4) . .
O39 Mo11 Cs2 126.9(2) . .
O39 Mo11 Cs2 136.4(2) . 2_576
O39 Mo11 O45 78.5(3) . .
O40 Mo11 Cs2 96.8(3) . .
O40 Mo11 Cs2 55.8(3) . 2_576
O40 Mo11 O39 80.6(3) . .
O40 Mo11 O44 149.2(3) . .
O40 Mo11 O45 72.6(3) . .
O41 Mo11 Cs2 40.3(3) . .
O41 Mo11 Cs2 45.2(3) . 2_576
O41 Mo11 O39 167.1(4) . .
O41 Mo11 O40 99.1(4) . .
O41 Mo11 O44 98.3(4) . .
O41 Mo11 O45 89.1(4) . .
O44 Mo11 Cs2 80.6(2) . .
O44 Mo11 Cs2 142.6(2) . 2_576
O44 Mo11 O39 76.9(3) . .
O44 Mo11 O45 82.5(3) . .
O45 Mo11 Cs2 87.99(19) . 2_576
O45 Mo11 Cs2 51.07(18) . .
Cs2 Mo12 Cs3 159.13(6) 2_576 .
O28 Mo12 Cs2 97.6(3) . 2_576
O28 Mo12 Cs3 61.7(3) . .
O28 Mo12 O40 98.4(4) . .
O28 Mo12 O45 164.0(4) . .
O28 Mo12 O47 87.4(4) . .
O28 Mo12 O52 100.8(4) . .
O40 Mo12 Cs2 55.7(3) . 2_576
O40 Mo12 Cs3 120.9(3) . .
O40 Mo12 O45 72.3(3) . .
O40 Mo12 O47 79.5(3) . .
O43 Mo12 Cs2 43.6(3) . 2_576
O43 Mo12 Cs3 139.7(3) . .
O43 Mo12 O28 104.3(5) . .
O43 Mo12 O40 97.7(4) . .
O43 Mo12 O45 90.2(4) . .
O43 Mo12 O47 168.3(4) . .
O43 Mo12 O52 99.3(4) . .
O45 Mo12 Cs2 87.96(19) . 2_576
O45 Mo12 Cs3 111.19(19) . .
O47 Mo12 Cs2 135.2(2) . 2_576
O47 Mo12 Cs3 47.2(2) . .
O47 Mo12 O45 78.2(3) . .
O52 Mo12 Cs2 142.0(2) . 2_576
O52 Mo12 Cs3 52.7(2) . .
O52 Mo12 O40 150.3(3) . .
O52 Mo12 O45 83.4(3) . .
O52 Mo12 O47 78.9(3) . .
O60 Mo13 Cs5 84.4(3) . 2_677
O60 Mo13 O61 101.4(4) . .
O60 Mo13 O71 88.5(4) . .
O60 Mo13 O75 98.8(4) . .
O60 Mo13 O77 165.1(4) . .
O61 Mo13 Cs5 79.8(2) . 2_677
O61 Mo13 O71 78.5(3) . .
O61 Mo13 O75 149.9(3) . .
O61 Mo13 O77 81.7(3) . .
O63 Mo13 Cs5 30.7(3) . 2_677
O63 Mo13 O60 104.4(5) . .
O63 Mo13 O61 98.3(4) . .
O63 Mo13 O71 167.1(4) . .
O63 Mo13 O75 97.9(4) . .
O63 Mo13 O77 89.4(4) . .
O71 Mo13 Cs5 155.3(2) . 2_677
O71 Mo13 O77 77.8(3) . .
O75 Mo13 Cs5 124.4(2) . 2_677
O75 Mo13 O71 80.0(3) . .
O75 Mo13 O77 73.3(3) . .
O77 Mo13 Cs5 110.46(18) . 2_677
Cs8 Mo14 Cs8 65.34(16) 1_655 2_677
O67 Mo14 Cs8 114.2(2) . 1_655
O67 Mo14 Cs8 154.3(2) . 2_677
O67 Mo14 O77 77.6(3) . .
O69 Mo14 Cs8 114.2(2) . 1_655
O69 Mo14 Cs8 79.4(2) . 2_677
O69 Mo14 O67 77.8(3) . .
O69 Mo14 O75 149.4(3) . .
O69 Mo14 O77 81.6(3) . .
O72 Mo14 Cs8 27.3(3) . 1_655
O72 Mo14 Cs8 84.2(3) . 2_677
O72 Mo14 O67 88.6(3) . .
O72 Mo14 O69 101.1(4) . .
O72 Mo14 O75 99.3(4) . .
O72 Mo14 O77 165.1(3) . .
O72 Mo14 O81 104.2(4) . .
O75 Mo14 Cs8 125.3(2) . 2_677
O75 Mo14 Cs8 94.1(2) . 1_655
O75 Mo14 O67 80.2(3) . .
O75 Mo14 O77 73.1(3) . .
O77 Mo14 Cs8 110.7(2) . 2_677
O77 Mo14 Cs8 161.3(2) . 1_655
O81 Mo14 Cs8 78.6(3) . 1_655
O81 Mo14 Cs8 31.1(3) . 2_677
O81 Mo14 O67 167.2(3) . .
O81 Mo14 O69 98.6(4) . .
O81 Mo14 O75 98.2(4) . .
O81 Mo14 O77 89.7(3) . .
Cs5 Mo15 Cs8 71.01(10) . 2_677
O64 Mo15 Cs5 92.17(17) . .
O64 Mo15 Cs8 110.94(19) . 2_677
O65 Mo15 Cs5 52.6(2) . .
O65 Mo15 Cs8 123.6(2) . 2_677
O65 Mo15 O64 73.0(3) . .
O65 Mo15 O80 80.2(3) . .
O66 Mo15 Cs5 93.3(3) . .
O66 Mo15 Cs8 82.9(3) . 2_677
O66 Mo15 O64 166.1(3) . .
O66 Mo15 O65 100.5(4) . .
O66 Mo15 O69 100.5(4) . .
O66 Mo15 O78 104.7(4) . .
O66 Mo15 O80 88.6(3) . .
O69 Mo15 Cs5 147.3(2) . .
O69 Mo15 Cs8 81.4(2) . 2_677
O69 Mo15 O64 81.4(3) . .
O69 Mo15 O65 149.1(3) . .
O69 Mo15 O80 77.9(3) . .
O78 Mo15 Cs5 48.7(3) . .
O78 Mo15 Cs8 31.1(3) . 2_677
O78 Mo15 O64 88.5(3) . .
O78 Mo15 O65 97.5(4) . .
O78 Mo15 O69 98.9(3) . .
O78 Mo15 O80 166.8(3) . .
O80 Mo15 Cs5 132.39(18) . .
O80 Mo15 Cs8 155.7(2) . 2_677
O80 Mo15 O64 78.4(2) . .
Cs5 Mo16 Cs6 106.87(7) . 1_545
Cs5 Mo16 Cs7 77.92(8) . .
Cs7 Mo16 Cs6 68.46(9) . 1_545
O62 Mo16 Cs5 94.4(3) . .
O62 Mo16 Cs6 36.6(3) . 1_545
O62 Mo16 Cs7 32.1(3) . .
O62 Mo16 O64 164.5(3) . .
O62 Mo16 O65 99.3(4) . .
O62 Mo16 O73 100.4(4) . .
O62 Mo16 O76 87.2(3) . .
O64 Mo16 Cs5 92.19(17) . .
O64 Mo16 Cs6 127.94(18) . 1_545
O64 Mo16 Cs7 163.22(19) . .
O65 Mo16 Cs5 52.1(2) . .
O65 Mo16 Cs6 80.7(2) . 1_545
O65 Mo16 Cs7 108.9(2) . .
O65 Mo16 O64 74.0(3) . .
O65 Mo16 O76 79.8(3) . .
O73 Mo16 Cs5 146.8(2) . .
O73 Mo16 Cs6 102.6(2) . 1_545
O73 Mo16 Cs7 99.6(2) . .
O73 Mo16 O64 81.2(3) . .
O73 Mo16 O65 150.2(3) . .
O73 Mo16 O76 79.1(3) . .
O76 Mo16 Cs5 131.45(19) . .
O76 Mo16 Cs6 52.89(19) . 1_545
O76 Mo16 Cs7 118.7(2) . .
O76 Mo16 O64 78.0(3) . .
O79 Mo16 Cs5 48.7(3) . .
O79 Mo16 Cs6 138.5(3) . 1_545
O79 Mo16 Cs7 73.1(3) . .
O79 Mo16 O62 104.7(4) . .
O79 Mo16 O64 90.2(4) . .
O79 Mo16 O65 97.8(4) . .
O79 Mo16 O73 98.5(4) . .
O79 Mo16 O76 168.2(4) . .
O55 Mo17 Cs8 134.7(3) . .
O58 Mo17 Cs8 86.9(4) . .
O58 Mo17 O55 88.1(5) . .
O58 Mo17 O59 165.0(4) . .
O58 Mo17 O70 99.3(4) . .
O58 Mo17 O73 102.8(4) . .
O59 Mo17 Cs8 97.2(2) . .
O59 Mo17 O55 78.7(3) . .
O70 Mo17 Cs8 58.0(3) . .
O70 Mo17 O55 78.5(4) . .
O70 Mo17 O59 71.2(3) . .
O73 Mo17 Cs8 147.8(2) . .
O73 Mo17 O55 76.9(3) . .
O73 Mo17 O59 81.3(3) . .
O73 Mo17 O70 146.1(3) . .
O74 Mo17 Cs8 47.8(3) . .
O74 Mo17 O55 168.5(4) . .
O74 Mo17 O58 103.4(5) . .
O74 Mo17 O59 89.9(4) . .
O74 Mo17 O70 99.5(4) . .
O74 Mo17 O73 100.0(4) . .
Cs8 Mo18 Cs5 69.97(11) . 2_677
O56 Mo18 Cs5 149.1(3) . 2_677
O56 Mo18 Cs8 136.5(3) . .
O57 Mo18 Cs5 78.8(4) . 2_677
O57 Mo18 Cs8 86.9(4) . .
O57 Mo18 O56 86.3(5) . .
O57 Mo18 O59 162.7(5) . .
O57 Mo18 O61 102.8(5) . .
O57 Mo18 O70 98.9(5) . .
O59 Mo18 Cs5 118.54(19) . 2_677
O59 Mo18 Cs8 98.9(2) . .
O59 Mo18 O56 78.3(3) . .
O61 Mo18 Cs5 79.6(2) . 2_677
O61 Mo18 Cs8 145.6(3) . .
O61 Mo18 O56 77.6(4) . .
O61 Mo18 O59 81.6(3) . .
O61 Mo18 O70 146.7(4) . .
O68 Mo18 Cs5 37.2(3) . 2_677
O68 Mo18 Cs8 46.2(3) . .
O68 Mo18 O56 169.2(4) . .
O68 Mo18 O57 104.6(5) . .
O68 Mo18 O59 91.0(4) . .
O68 Mo18 O61 99.5(4) . .
O68 Mo18 O70 99.1(4) . .
O70 Mo18 Cs5 129.7(3) . 2_677
O70 Mo18 Cs8 59.8(3) . .
O70 Mo18 O56 79.0(4) . .
O70 Mo18 O59 70.7(3) . .
O64 Cs1 O64 180.0(2) . 2_677
O64 Cs1 O77 139.20(16) 2_677 .
O64 Cs1 O77 40.80(16) 2_677 2_677
O64 Cs1 O77 40.80(16) . .
O64 Cs1 O77 139.20(16) . 2_677
O64 Cs1 O78 133.79(16) . 2_677
O64 Cs1 O78 46.21(16) 2_677 2_677
O64 Cs1 O78 46.21(16) . .
O64 Cs1 O78 133.79(16) 2_677 .
O64 Cs1 O81 114.10(17) . 2_677
O64 Cs1 O81 65.90(17) 2_677 2_677
O64 Cs1 O81 65.90(17) . .
O64 Cs1 O81 114.10(17) 2_677 .
O68 Cs1 O64 83.38(18) . .
O68 Cs1 O64 83.38(18) 2_677 2_677
O68 Cs1 O64 96.62(18) . 2_677
O68 Cs1 O64 96.62(18) 2_677 .
O68 Cs1 O68 180.0 . 2_677
O68 Cs1 O77 63.97(19) . .
O68 Cs1 O77 63.97(19) 2_677 2_677
O68 Cs1 O77 116.03(19) 2_677 .
O68 Cs1 O77 116.03(19) . 2_677
O68 Cs1 O78 53.2(2) 2_677 .
O68 Cs1 O78 126.8(2) 2_677 2_677
O68 Cs1 O78 126.8(2) . .
O68 Cs1 O78 53.2(2) . 2_677
O68 Cs1 O81 103.5(2) 2_677 2_677
O68 Cs1 O81 103.5(2) . .
O68 Cs1 O81 76.5(2) . 2_677
O68 Cs1 O81 76.5(2) 2_677 .
O74 Cs1 O64 63.89(18) 2_677 2_677
O74 Cs1 O64 63.89(18) . .
O74 Cs1 O64 116.11(18) 2_677 .
O74 Cs1 O64 116.11(18) . 2_677
O74 Cs1 O68 55.1(2) 2_677 2_677
O74 Cs1 O68 124.9(2) . 2_677
O74 Cs1 O68 55.1(2) . .
O74 Cs1 O68 124.9(2) 2_677 .
O74 Cs1 O74 180.0 2_677 .
O74 Cs1 O77 83.21(18) . .
O74 Cs1 O77 96.79(19) 2_677 .
O74 Cs1 O77 96.80(19) . 2_677
O74 Cs1 O77 83.21(18) 2_677 2_677
O74 Cs1 O78 102.91(19) . .
O74 Cs1 O78 77.09(19) 2_677 .
O74 Cs1 O78 77.09(19) . 2_677
O74 Cs1 O78 102.91(19) 2_677 2_677
O74 Cs1 O81 126.9(2) 2_677 2_677
O74 Cs1 O81 53.1(2) . 2_677
O74 Cs1 O81 126.9(2) . .
O74 Cs1 O81 53.1(2) 2_677 .
O77 Cs1 O77 180.00(18) . 2_677
O77 Cs1 O78 65.81(17) 2_677 2_677
O77 Cs1 O78 114.19(17) . 2_677
O77 Cs1 O78 114.19(17) 2_677 .
O77 Cs1 O78 65.81(17) . .
O77 Cs1 O81 46.66(17) 2_677 2_677
O77 Cs1 O81 133.34(17) . 2_677
O77 Cs1 O81 133.34(17) 2_677 .
O77 Cs1 O81 46.66(17) . .
O78 Cs1 O78 180.0(2) 2_677 .
O81 Cs1 O78 132.63(18) . 2_677
O81 Cs1 O78 47.38(18) 2_677 2_677
O81 Cs1 O78 132.62(18) 2_677 .
O81 Cs1 O78 47.37(18) . .
O81 Cs1 O81 180.00(8) 2_677 .
Mo11 Cs2 Mo12 48.24(3) 2_576 2_576
P2 Cs2 Mo11 137.83(8) . 2_576
P2 Cs2 Mo12 153.07(7) . 2_576
O35 Cs2 Mo11 136.95(17) . 2_576
O35 Cs2 Mo12 90.98(16) . 2_576
O35 Cs2 P2 71.75(16) . .
O35 Cs2 O38 53.1(2) . .
O35 Cs2 O40 117.8(2) . 2_576
O35 Cs2 O41 54.6(2) . .
O35 Cs2 O45 73.6(2) . .
O35 Cs2 O54 70.1(2) . .
O38 Cs2 Mo11 161.89(14) . 2_576
O38 Cs2 Mo12 143.88(14) . 2_576
O38 Cs2 P2 24.12(13) . .
O38 Cs2 O40 170.1(2) . 2_576
O38 Cs2 O41 72.6(2) . .
O38 Cs2 O45 42.74(17) . .
O38 Cs2 O54 48.8(2) . .
O40 Cs2 Mo11 27.32(14) 2_576 2_576
O40 Cs2 Mo12 27.92(14) 2_576 2_576
O40 Cs2 P2 164.79(16) 2_576 .
O40 Cs2 O45 143.1(2) 2_576 .
O40 Cs2 O54 127.4(2) 2_576 .
O41 Cs2 Mo11 22.75(16) 2_576 2_576
O41 Cs2 Mo11 100.98(16) . 2_576
O41 Cs2 Mo12 64.47(16) 2_576 2_576
O41 Cs2 Mo12 84.01(16) . 2_576
O41 Cs2 P2 69.18(16) . .
O41 Cs2 P2 115.51(18) 2_576 .
O41 Cs2 O35 138.6(2) 2_576 .
O41 Cs2 O38 139.3(2) 2_576 .
O41 Cs2 O40 49.3(2) 2_576 2_576
O41 Cs2 O40 105.7(2) . 2_576
O41 Cs2 O41 88.5(2) 2_576 .
O41 Cs2 O45 97.7(2) 2_576 .
O41 Cs2 O45 49.7(2) . .
O41 Cs2 O54 116.5(2) . .
O41 Cs2 O54 151.3(2) 2_576 .
O43 Cs2 Mo11 64.41(18) 2_576 2_576
O43 Cs2 Mo12 22.06(18) 2_576 2_576
O43 Cs2 P2 131.49(19) 2_576 .
O43 Cs2 O35 72.7(2) 2_576 .
O43 Cs2 O38 123.6(2) 2_576 .
O43 Cs2 O40 49.4(2) 2_576 2_576
O43 Cs2 O41 63.5(2) 2_576 .
O43 Cs2 O41 74.2(2) 2_576 2_576
O43 Cs2 O45 113.0(2) 2_576 .
O43 Cs2 O54 128.1(2) 2_576 .
O45 Cs2 Mo11 120.25(14) . 2_576
O45 Cs2 Mo12 131.89(14) . 2_576
O45 Cs2 P2 24.13(13) . .
O45 Cs2 O54 89.4(2) . .
O54 Cs2 Mo11 142.24(17) . 2_576
O54 Cs2 Mo12 128.31(17) . 2_576
O54 Cs2 P2 65.90(16) . .
O18W Cs2 Mo11 78.1(4) . 2_576
O18W Cs2 Mo12 119.9(4) . 2_576
O18W Cs2 P2 83.9(4) . .
O18W Cs2 O35 144.5(5) . .
O18W Cs2 O38 95.4(4) . .
O18W Cs2 O40 92.0(5) . 2_576
O18W Cs2 O41 138.6(5) . .
O18W Cs2 O41 75.1(5) . 2_576
O18W Cs2 O43 140.9(5) . 2_576
O18W Cs2 O45 94.5(4) . .
O18W Cs2 O54 76.6(5) . .
N1 Cs3 O7 86.2(2) . .
N1 Cs3 O28 133.4(2) . .
N1 Cs3 O16W 47.2(3) . .
N1 Cs3 O22W 135.2(5) . .
N2 Cs3 N1 81.6(2) . .
N2 Cs3 O7 136.5(2) . .
N2 Cs3 O28 87.2(2) . .
N2 Cs3 O16W 128.7(3) . .
N2 Cs3 O22W 53.6(5) . .
O7 Cs3 O28 129.1(2) . .
O7 Cs3 O16W 55.1(3) . .
O7 Cs3 O22W 125.7(5) . .
O9 Cs3 N1 96.2(2) . .
O9 Cs3 N2 92.8(2) . .
O9 Cs3 O7 47.2(2) . .
O9 Cs3 O27 46.5(2) . .
O9 Cs3 O28 129.7(2) . .
O9 Cs3 O52 168.2(2) . .
O9 Cs3 O53 139.0(2) . .
O9 Cs3 O16W 94.3(3) . .
O9 Cs3 O22W 88.2(5) . .
O19 Cs3 N1 48.3(2) . .
O19 Cs3 N2 94.8(2) . .
O19 Cs3 O7 48.6(2) . .
O19 Cs3 O9 49.1(2) . .
O19 Cs3 O27 70.6(2) . .
O19 Cs3 O28 177.6(2) . .
O19 Cs3 O52 134.1(2) . .
O19 Cs3 O53 90.0(2) . .
O19 Cs3 O16W 55.5(3) . .
O19 Cs3 O22W 128.1(5) . .
O27 Cs3 N1 94.6(2) . .
O27 Cs3 N2 47.0(2) . .
O27 Cs3 O7 93.1(2) . .
O27 Cs3 O28 110.1(2) . .
O27 Cs3 O52 142.9(2) . .
O27 Cs3 O53 132.2(2) . .
O27 Cs3 O16W 125.9(3) . .
O27 Cs3 O22W 57.6(5) . .
O28 Cs3 O16W 123.9(3) . .
O28 Cs3 O22W 52.5(5) . .
O47 Cs3 N1 92.4(2) . .
O47 Cs3 N2 49.8(2) . .
O47 Cs3 O7 173.0(2) . .
O47 Cs3 O9 139.8(2) . .
O47 Cs3 O19 133.8(2) . .
O47 Cs3 O27 93.8(2) . .
O47 Cs3 O28 48.5(2) . .
O47 Cs3 O52 49.2(2) . .
O47 Cs3 O53 68.4(2) . .
O47 Cs3 O16W 119.5(3) . .
O47 Cs3 O22W 59.3(5) . .
O52 Cs3 N1 90.4(2) . .
O52 Cs3 N2 97.9(2) . .
O52 Cs3 O7 123.9(2) . .
O52 Cs3 O28 46.5(2) . .
O52 Cs3 O53 45.30(19) . .
O52 Cs3 O16W 82.9(3) . .
O52 Cs3 O22W 94.1(5) . .
O53 Cs3 N1 45.5(2) . .
O53 Cs3 N2 94.5(2) . .
O53 Cs3 O7 106.1(2) . .
O53 Cs3 O28 91.0(2) . .
O53 Cs3 O16W 51.1(3) . .
O53 Cs3 O22W 127.7(5) . .
O22W Cs3 O16W 176.4(5) . .
Mo1 Cs4 Mo2 50.96(5) 1_455 1_455
Mo1 Cs4 Mo9 111.80(8) 1_455 1_565
Mo2 Cs4 Mo9 119.77(8) 1_455 1_565
Mo5 Cs4 Mo1 130.51(9) . 1_455
Mo5 Cs4 Mo2 87.64(7) . 1_455
Mo5 Cs4 Mo9 112.33(8) . 1_565
O4 Cs4 Mo1 138.1(2) . 1_455
O4 Cs4 Mo2 87.3(2) . 1_455
O4 Cs4 Mo5 25.55(18) . .
O4 Cs4 Mo9 90.41(19) . 1_565
O4 Cs4 O7 49.5(3) . .
O4 Cs4 O8 65.4(2) . 1_455
O4 Cs4 O22 111.4(2) . 1_455
O4 Cs4 O11W 97.7(3) . .
O6 Cs4 Mo1 22.7(2) 1_455 1_455
O6 Cs4 Mo2 72.8(2) 1_455 1_455
O6 Cs4 Mo5 139.0(2) 1_455 .
O6 Cs4 Mo9 108.6(2) 1_455 1_565
O6 Cs4 O4 157.4(3) 1_455 .
O6 Cs4 O7 113.3(3) 1_455 .
O6 Cs4 O8 93.6(3) 1_455 1_455
O6 Cs4 O22 47.2(2) 1_455 1_455
O6 Cs4 O11W 63.5(3) 1_455 .
O7 Cs4 Mo1 107.8(2) . 1_455
O7 Cs4 Mo2 76.17(19) . 1_455
O7 Cs4 Mo5 25.69(18) . .
O7 Cs4 Mo9 138.0(2) . 1_565
O7 Cs4 O8 58.7(2) . 1_455
O7 Cs4 O22 84.9(2) . 1_455
O7 Cs4 O11W 49.8(3) . .
O8 Cs4 Mo1 72.74(17) 1_455 1_455
O8 Cs4 Mo2 22.48(16) 1_455 1_455
O8 Cs4 Mo5 65.81(17) 1_455 .
O8 Cs4 Mo9 121.52(18) 1_455 1_565
O8 Cs4 O22 46.4(2) 1_455 1_455
O8 Cs4 O11W 62.8(3) 1_455 .
O22 Cs4 Mo1 27.28(12) 1_455 1_455
O22 Cs4 Mo2 26.55(12) 1_455 1_455
O22 Cs4 Mo5 104.52(15) 1_455 .
O22 Cs4 Mo9 127.64(15) 1_455 1_565
O34 Cs4 Mo1 125.1(2) 1_565 1_455
O34 Cs4 Mo2 116.4(2) 1_565 1_455
O34 Cs4 Mo5 94.98(19) 1_565 .
O34 Cs4 Mo9 18.04(17) 1_565 1_565
O34 Cs4 O4 72.4(3) 1_565 .
O34 Cs4 O6 125.9(3) 1_565 1_455
O34 Cs4 O7 120.7(3) 1_565 .
O34 Cs4 O8 110.9(3) 1_565 1_455
O34 Cs4 O22 133.1(2) 1_565 1_455
O34 Cs4 O11W 170.0(3) 1_565 .
O34 Cs4 O15W 62.8(4) 1_565 .
O11W Cs4 Mo1 61.9(2) . 1_455
O11W Cs4 Mo2 61.2(2) . 1_455
O11W Cs4 Mo5 75.5(2) . .
O11W Cs4 Mo9 171.9(2) . 1_565
O11W Cs4 O22 49.2(2) . 1_455
O15W Cs4 Mo1 65.0(3) . 1_455
O15W Cs4 Mo2 65.7(3) . 1_455
O15W Cs4 Mo5 126.9(3) . .
O15W Cs4 Mo9 56.9(3) . 1_565
O15W Cs4 O4 104.4(4) . .
O15W Cs4 O6 77.5(4) . 1_455
O15W Cs4 O7 135.2(4) . .
O15W Cs4 O8 77.9(3) . 1_455
O15W Cs4 O22 71.5(3) . 1_455
O15W Cs4 O11W 120.6(4) . .
Mo3 Cs5 Mo13 145.26(7) 1_545 2_677
Mo3 Cs5 Mo18 123.02(6) 1_545 2_677
Mo13 Cs5 Mo18 48.38(3) 2_677 2_677
Mo15 Cs5 Mo3 89.52(5) . 1_545
Mo15 Cs5 Mo13 124.51(6) . 2_677
Mo15 Cs5 Mo16 49.24(3) . .
Mo15 Cs5 Mo18 103.71(6) . 2_677
Mo16 Cs5 Mo3 105.92(6) . 1_545
Mo16 Cs5 Mo13 102.52(6) . 2_677
Mo16 Cs5 Mo18 124.75(6) . 2_677
O16 Cs5 Mo3 19.95(17) 1_545 1_545
O16 Cs5 Mo13 165.16(18) 1_545 2_677
O16 Cs5 Mo15 70.15(17) 1_545 .
O16 Cs5 Mo16 89.09(17) 1_545 .
O16 Cs5 Mo18 130.83(18) 1_545 2_677
O16 Cs5 O20 63.8(2) 1_545 1_545
O16 Cs5 O63 173.0(3) 1_545 2_677
O16 Cs5 O65 66.0(2) 1_545 .
O16 Cs5 O68 129.2(3) 1_545 2_677
O16 Cs5 O78 86.5(2) 1_545 .
O16 Cs5 O79 112.8(2) 1_545 .
O20 Cs5 Mo3 61.16(18) 1_545 1_545
O20 Cs5 Mo13 110.69(19) 1_545 2_677
O20 Cs5 Mo15 103.55(19) 1_545 .
O20 Cs5 Mo16 72.24(18) 1_545 .
O20 Cs5 Mo18 152.44(19) 1_545 2_677
O20 Cs5 O65 77.0(2) 1_545 .
O20 Cs5 O68 166.7(3) 1_545 2_677
O20 Cs5 O78 127.2(2) 1_545 .
O20 Cs5 O79 80.9(2) 1_545 .
O63 Cs5 Mo3 159.9(2) 2_677 1_545
O63 Cs5 Mo13 16.64(18) 2_677 2_677
O63 Cs5 Mo15 110.44(19) 2_677 .
O63 Cs5 Mo16 86.35(19) 2_677 .
O63 Cs5 Mo18 56.16(18) 2_677 2_677
O63 Cs5 O20 109.6(3) 2_677 1_545
O63 Cs5 O65 110.9(2) 2_677 .
O63 Cs5 O68 57.5(3) 2_677 2_677
O63 Cs5 O78 96.3(2) 2_677 .
O63 Cs5 O79 62.4(2) 2_677 .
O65 Cs5 Mo3 85.32(14) . 1_545
O65 Cs5 Mo13 127.56(14) . 2_677
O65 Cs5 Mo15 28.34(13) . .
O65 Cs5 Mo16 27.88(13) . .
O65 Cs5 Mo18 128.80(15) . 2_677
O68 Cs5 Mo3 129.49(18) 2_677 1_545
O68 Cs5 Mo13 56.02(18) 2_677 2_677
O68 Cs5 Mo15 85.61(18) 2_677 .
O68 Cs5 Mo16 108.19(18) 2_677 .
O68 Cs5 Mo18 18.97(17) 2_677 2_677
O68 Cs5 O65 109.9(2) 2_677 .
O78 Cs5 Mo3 103.38(16) . 1_545
O78 Cs5 Mo13 106.76(16) . 2_677
O78 Cs5 Mo15 23.79(15) . .
O78 Cs5 Mo16 64.18(15) . .
O78 Cs5 Mo18 79.94(15) . 2_677
O78 Cs5 O65 50.6(2) . .
O78 Cs5 O68 61.9(2) . 2_677
O78 Cs5 O79 71.4(2) . .
O79 Cs5 Mo3 128.19(18) . 1_545
O79 Cs5 Mo13 78.51(17) . 2_677
O79 Cs5 Mo15 65.15(17) . .
O79 Cs5 Mo16 24.01(17) . .
O79 Cs5 Mo18 107.12(18) . 2_677
O79 Cs5 O65 50.7(2) . .
O79 Cs5 O68 94.5(2) . 2_677
N4 Cs6 Mo16 78.55(17) 1_565 1_565
N4 Cs6 O42 46.5(2) 1_565 1_565
N4 Cs6 O76 46.9(2) 1_565 1_565
N4 Cs6 C28 37.9(2) 1_565 1_565
N4 Cs6 O4W 53.2(2) 1_565 1_565
N4 Cs6 O14W 98.7(3) 1_565 1_565
O4 Cs6 Mo16 97.6(2) . 1_565
O4 Cs6 N4 166.5(3) . 1_565
O4 Cs6 O34 73.9(3) . 1_565
O4 Cs6 O42 124.6(3) . 1_565
O4 Cs6 O62 78.8(3) . 1_565
O4 Cs6 O76 129.1(3) . 1_565
O4 Cs6 C28 143.2(3) . 1_565
O4 Cs6 O4W 113.8(3) . 1_565
O4 Cs6 O14W 68.1(3) . 1_565
O13 Cs6 Mo16 158.9(3) . 1_565
O13 Cs6 N4 119.5(3) . 1_565
O13 Cs6 O4 67.3(3) . .
O13 Cs6 O34 72.9(3) . 1_565
O13 Cs6 O42 93.8(3) . 1_565
O13 Cs6 O62 144.9(3) . 1_565
O13 Cs6 O76 161.4(3) . 1_565
O13 Cs6 C28 142.4(3) . 1_565
O13 Cs6 O4W 141.2(3) . 1_565
O13 Cs6 O7W 102.5(4) . .
O13 Cs6 O14W 117.1(4) . 1_565
O34 Cs6 Mo16 118.4(2) 1_565 1_565
O34 Cs6 N4 96.5(2) 1_565 1_565
O34 Cs6 O42 50.7(2) 1_565 1_565
O34 Cs6 O76 117.4(2) 1_565 1_565
O34 Cs6 C28 126.9(2) 1_565 1_565
O34 Cs6 O4W 70.8(2) 1_565 1_565
O34 Cs6 O14W 53.5(3) 1_565 1_565
O42 Cs6 Mo16 107.11(17) 1_565 1_565
O42 Cs6 O76 83.1(2) 1_565 1_565
O42 Cs6 C28 82.2(2) 1_565 1_565
O42 Cs6 O4W 52.1(2) 1_565 1_565
O42 Cs6 O14W 77.5(3) 1_565 1_565
O62 Cs6 Mo16 19.52(17) 1_565 1_565
O62 Cs6 N4 95.6(3) 1_565 1_565
O62 Cs6 O34 107.4(3) 1_565 1_565
O62 Cs6 O42 113.8(2) 1_565 1_565
O62 Cs6 O76 50.2(2) 1_565 1_565
O62 Cs6 C28 66.5(2) 1_565 1_565
O62 Cs6 O4W 61.8(2) 1_565 1_565
O62 Cs6 O14W 53.8(3) 1_565 1_565
O76 Cs6 Mo16 31.84(13) 1_565 1_565
O76 Cs6 C28 19.02(19) 1_565 1_565
O76 Cs6 O4W 46.8(2) 1_565 1_565
O76 Cs6 O14W 80.3(3) 1_565 1_565
C28 Cs6 Mo16 47.00(16) 1_565 1_565
O4W Cs6 Mo16 57.44(16) 1_565 1_565
O4W Cs6 C28 60.0(2) 1_565 1_565
O7W Cs6 Mo16 66.1(3) . 1_565
O7W Cs6 N4 85.2(3) . 1_565
O7W Cs6 O4 105.2(4) . .
O7W Cs6 O34 175.3(4) . 1_565
O7W Cs6 O42 130.1(4) . 1_565
O7W Cs6 O62 76.7(4) . 1_565
O7W Cs6 O76 66.8(3) . 1_565
O7W Cs6 C28 56.5(3) . 1_565
O7W Cs6 O4W 113.6(3) . 1_565
O7W Cs6 O14W 130.6(4) . 1_565
O14W Cs6 Mo16 66.5(3) 1_565 1_565
O14W Cs6 C28 98.6(3) 1_565 1_565
O14W Cs6 O4W 45.8(3) 1_565 1_565
Mo2 Cs7 Cs6 109.92(12) 1_445 1_545
Mo4 Cs7 Mo2 119.57(12) 1_545 1_445
Mo4 Cs7 Mo5 48.87(6) 1_545 1_545
Mo4 Cs7 Mo16 91.96(10) 1_545 .
Mo4 Cs7 Cs6 79.29(10) 1_545 1_545
Mo5 Cs7 Mo2 83.90(9) 1_545 1_445
Mo5 Cs7 Mo16 108.23(11) 1_545 .
Mo5 Cs7 Cs6 59.08(8) 1_545 1_545
Mo16 Cs7 Mo2 143.88(13) . 1_445
Mo16 Cs7 Cs6 55.80(8) . 1_545
O4 Cs7 Mo2 85.4(2) 1_545 1_445
O4 Cs7 Mo4 65.05(19) 1_545 1_545
O4 Cs7 Mo5 22.97(17) 1_545 1_545
O4 Cs7 Mo16 93.6(2) 1_545 .
O4 Cs7 Cs6 39.08(19) 1_545 1_545
O4 Cs7 O14W 68.8(3) 1_545 .
O4 Cs7 O20W 143.5(4) 1_545 1_465
O8 Cs7 Mo2 19.14(18) 1_445 1_445
O8 Cs7 Mo4 103.5(2) 1_445 1_545
O8 Cs7 Mo5 64.76(19) 1_445 1_545
O8 Cs7 Mo16 146.8(2) 1_445 .
O8 Cs7 Cs6 98.0(2) 1_445 1_545
O8 Cs7 O4 67.8(3) 1_445 1_545
O8 Cs7 O20 126.0(3) 1_445 1_545
O8 Cs7 O25 75.1(2) 1_445 1_545
O8 Cs7 O14W 78.9(3) 1_445 .
O8 Cs7 O20W 80.8(4) 1_445 1_465
O20 Cs7 Mo2 142.9(2) 1_545 1_445
O20 Cs7 Mo4 23.40(18) 1_545 1_545
O20 Cs7 Mo5 65.3(2) 1_545 1_545
O20 Cs7 Mo16 69.5(2) 1_545 .
O20 Cs7 Cs6 72.4(2) 1_545 1_545
O20 Cs7 O4 74.2(3) 1_545 1_545
O20 Cs7 O25 51.1(2) 1_545 1_545
O20 Cs7 O14W 120.8(4) 1_545 .
O20 Cs7 O20W 142.0(4) 1_545 1_465
O25 Cs7 Mo2 92.23(19) 1_545 1_445
O25 Cs7 Mo4 28.71(16) 1_545 1_545
O25 Cs7 Mo5 26.85(15) 1_545 1_545
O25 Cs7 Mo16 114.1(2) 1_545 .
O25 Cs7 Cs6 79.39(19) 1_545 1_545
O25 Cs7 O4 49.0(2) 1_545 1_545
O25 Cs7 O14W 117.7(3) 1_545 .
O25 Cs7 O20W 139.8(4) 1_545 1_465
O62 Cs7 Mo2 135.2(2) . 1_445
O62 Cs7 Mo4 89.2(2) . 1_545
O62 Cs7 Mo5 93.2(2) . 1_545
O62 Cs7 Mo16 17.98(17) . .
O62 Cs7 Cs6 37.93(19) . 1_545
O62 Cs7 O4 76.3(3) . 1_545
O62 Cs7 O8 131.4(3) . 1_445
O62 Cs7 O20 69.8(3) . 1_545
O62 Cs7 O25 104.9(3) . 1_545
O62 Cs7 O14W 57.8(3) . .
O62 Cs7 O20W 115.1(4) . 1_465
O14W Cs7 Mo2 77.5(3) . 1_445
O14W Cs7 Mo4 128.3(3) . 1_545
O14W Cs7 Mo5 90.9(3) . 1_545
O14W Cs7 Mo16 68.6(3) . .
O14W Cs7 Cs6 49.7(3) . 1_545
O14W Cs7 O20W 87.8(5) . 1_465
O20W Cs7 Mo2 61.7(4) 1_465 1_445
O20W Cs7 Mo4 144.0(4) 1_465 1_545
O20W Cs7 Mo5 145.0(4) 1_465 1_545
O20W Cs7 Mo16 103.7(4) 1_465 .
O20W Cs7 Cs6 136.2(4) 1_465 1_545
Mo14 Cs8 Mo15 140.52(18) 1_455 2_677
Mo17 Cs8 Mo14 91.03(14) . 1_455
Mo17 Cs8 Mo15 125.17(17) . 2_677
Mo18 Cs8 Mo14 111.08(16) . 1_455
Mo18 Cs8 Mo15 105.34(15) . 2_677
Mo18 Cs8 Mo17 48.97(8) . .
O68 Cs8 Mo14 134.5(3) . 1_455
O68 Cs8 Mo15 82.3(2) . 2_677
O68 Cs8 Mo17 60.9(2) . .
O68 Cs8 Mo18 23.49(18) . .
O68 Cs8 O70 49.6(2) . .
O68 Cs8 O74 62.6(3) . .
O68 Cs8 O12W 121.2(4) . 2_577
O70 Cs8 Mo14 88.4(2) . 1_455
O70 Cs8 Mo15 130.8(2) . 2_677
O70 Cs8 Mo17 27.84(15) . .
O70 Cs8 Mo18 28.79(15) . .
O70 Cs8 O12W 85.6(3) . 2_577
O72 Cs8 Mo14 15.99(18) 1_455 1_455
O72 Cs8 Mo15 156.4(3) 1_455 2_677
O72 Cs8 Mo17 76.8(2) 1_455 .
O72 Cs8 Mo18 95.9(2) 1_455 .
O72 Cs8 O68 119.3(3) 1_455 .
O72 Cs8 O70 72.4(3) 1_455 .
O72 Cs8 O74 94.0(3) 1_455 .
O72 Cs8 O78 172.1(4) 1_455 2_677
O72 Cs8 O81 124.1(3) 1_455 2_677
O72 Cs8 O12W 91.4(4) 1_455 .
O72 Cs8 O12W 60.8(3) 1_455 2_577
O74 Cs8 Mo14 105.5(2) . 1_455
O74 Cs8 Mo15 105.2(2) . 2_677
O74 Cs8 Mo17 23.07(16) . .
O74 Cs8 Mo18 60.7(2) . .
O74 Cs8 O70 48.5(2) . .
O74 Cs8 O12W 59.0(3) . 2_577
O78 Cs8 Mo14 157.4(3) 2_677 1_455
O78 Cs8 Mo15 17.28(17) 2_677 2_677
O78 Cs8 Mo17 110.9(2) 2_677 .
O78 Cs8 Mo18 88.5(2) 2_677 .
O78 Cs8 O68 65.2(3) 2_677 .
O78 Cs8 O70 113.6(3) 2_677 .
O78 Cs8 O74 93.8(3) 2_677 .
O78 Cs8 O81 59.7(3) 2_677 2_677
O78 Cs8 O12W 123.4(4) 2_677 2_577
O81 Cs8 Mo14 119.3(3) 2_677 1_455
O81 Cs8 Mo15 57.6(2) 2_677 2_677
O81 Cs8 Mo17 84.9(2) 2_677 .
O81 Cs8 Mo18 110.7(3) 2_677 .
O81 Cs8 O68 94.7(3) 2_677 .
O81 Cs8 O70 110.3(3) 2_677 .
O81 Cs8 O74 62.2(3) 2_677 .
O81 Cs8 O12W 63.7(3) 2_677 2_577
O12W Cs8 Mo14 75.4(3) . 1_455
O12W Cs8 Mo14 60.8(3) 2_577 1_455
O12W Cs8 Mo15 118.2(3) 2_577 2_677
O12W Cs8 Mo15 65.2(3) . 2_677
O12W Cs8 Mo17 150.3(4) . .
O12W Cs8 Mo17 63.1(3) 2_577 .
O12W Cs8 Mo18 111.8(3) 2_577 .
O12W Cs8 Mo18 160.7(4) . .
O12W Cs8 O68 144.9(4) . .
O12W Cs8 O70 163.8(4) . .
O12W Cs8 O74 136.6(4) . .
O12W Cs8 O78 82.5(4) . 2_677
O12W Cs8 O81 79.3(4) . 2_677
O12W Cs8 O12W 87.3(4) . 2_577
O14 P1 O21 110.9(4) . .
O14 P1 O23 111.9(4) . .
O23 P1 O21 111.4(4) . .
O38 P2 Cs2 62.8(3) . .
O38 P2 O45 109.6(4) . .
O45 P2 Cs2 69.9(3) . .
O50 P2 Cs2 84.0(3) . .
O50 P2 O38 111.9(4) . .
O50 P2 O45 111.5(4) . .
O59 P3 Cs1 81.2(3) . .
O64 P3 Cs1 67.6(3) . .
O64 P3 O59 111.0(4) . .
O64 P3 O77 110.7(4) . .
O77 P3 Cs1 67.9(3) . .
O77 P3 O59 111.3(4) . .
C2 N1 Cs3 108.0(7) . .
C6 N1 Cs3 113.7(7) . .
C6 N1 C2 118.8(9) . .
C9 N2 Cs3 120.3(7) . .
C13 N2 Cs3 114.5(7) . .
C13 N2 C9 117.4(10) . .
C16 N3 C20 118.1(9) . .
C23 N4 Cs6 112.8(6) . 1_545
C23 N4 C27 117.6(9) . .
C27 N4 Cs6 110.3(6) . 1_545
Mo1 O2 Mo6 121.8(5) . .
Mo5 O4 Cs4 100.4(4) . .
Mo5 O4 Cs6 137.1(5) . .
Mo5 O4 Cs7 107.4(4) . 1_565
Cs4 O4 Cs7 106.0(3) . 1_565
Cs6 O4 Cs4 105.4(3) . .
Cs6 O4 Cs7 97.7(3) . 1_565
Mo1 O6 Cs4 111.9(5) . 1_655
Mo5 O7 Cs3 95.1(4) . .
Mo5 O7 Cs4 99.5(4) . .
Cs4 O7 Cs3 110.6(3) . .
Mo2 O8 Cs4 108.1(4) . 1_655
Mo2 O8 Cs7 125.0(4) . 1_665
Cs7 O8 Cs4 107.3(3) 1_665 1_655
Mo5 O9 Cs3 102.2(3) . .
Mo6 O9 Mo5 147.7(5) . .
Mo6 O9 Cs3 109.5(3) . .
C8 O10 Mo1 129.7(8) . .
Mo2 O11 Mo3 121.9(4) . .
Mo6 O13 Cs6 141.5(6) . .
Mo1 O14 Mo6 92.1(3) . .
P1 O14 Mo1 129.7(4) . .
P1 O14 Mo6 130.6(4) . .
C15 O15 Mo2 129.7(7) . .
Mo3 O16 Cs5 122.7(4) . 1_565
C1 O17 Mo4 129.1(7) . .
Mo4 O18 Mo3 147.0(4) . .
Mo5 O19 Cs3 96.8(3) . .
C1 O19 Mo5 132.1(7) . .
C1 O19 Cs3 130.8(7) . .
Mo4 O20 Cs5 127.5(5) . 1_565
Mo4 O20 Cs7 110.7(4) . 1_565
Cs7 O20 Cs5 113.6(3) 1_565 1_565
Mo2 O21 Mo3 92.6(3) . .
P1 O21 Mo2 130.4(4) . .
P1 O21 Mo3 130.5(4) . .
Mo1 O22 Mo2 143.3(4) . .
Mo1 O22 Cs4 91.1(3) . 1_655
Mo2 O22 Cs4 94.7(3) . 1_655
Mo4 O23 Mo5 92.5(3) . .
P1 O23 Mo4 129.6(4) . .
P1 O23 Mo5 129.2(4) . .
C15 O24 Mo3 132.0(7) . .
Mo4 O25 Cs7 96.1(3) . 1_565
Mo5 O25 Mo4 122.5(5) . .
Mo5 O25 Cs7 101.8(3) . 1_565
Mo6 O27 Cs3 99.2(3) . .
C8 O27 Mo6 131.6(8) . .
C8 O27 Cs3 129.0(7) . .
Mo12 O28 Cs3 93.8(4) . .
Mo7 O33 Mo8 122.4(4) . .
Mo9 O34 Cs4 128.4(4) . 1_545
Mo9 O34 Cs6 123.3(4) . 1_545
Cs4 O34 Cs6 107.8(3) 1_545 1_545
Mo10 O35 Cs2 119.2(4) . .
Mo9 O37 Mo10 122.2(4) . .
Mo9 O38 Cs2 106.2(2) . .
Mo10 O38 Mo9 92.5(2) . .
Mo10 O38 Cs2 96.6(2) . .
P2 O38 Mo9 129.5(4) . .
P2 O38 Mo10 131.7(4) . .
P2 O38 Cs2 93.1(3) . .
C14 O39 Mo11 132.5(7) . .
Mo11 O40 Mo12 122.2(4) . .
Mo11 O40 Cs2 96.9(3) . 2_576
Mo12 O40 Cs2 96.4(3) . 2_576
Mo11 O41 Cs2 120.3(4) . .
Mo11 O41 Cs2 112.0(4) . 2_576
Cs2 O41 Cs2 91.5(2) 2_576 .
Mo9 O42 Cs6 97.9(3) . 1_545
C22 O42 Mo9 131.3(7) . .
C22 O42 Cs6 111.2(6) . 1_545
Mo12 O43 Cs2 114.3(4) . 2_576
Mo10 O44 Mo11 141.7(4) . .
Mo11 O45 Cs2 97.7(2) . .
Mo12 O45 Mo11 92.8(3) . .
Mo12 O45 Cs2 115.4(3) . .
P2 O45 Mo11 129.5(4) . .
P2 O45 Mo12 130.9(4) . .
P2 O45 Cs2 86.0(3) . .
Mo12 O47 Cs3 99.3(3) . .
C14 O47 Mo12 130.8(7) . .
C14 O47 Cs3 129.8(7) . .
C7 O48 Mo8 128.6(7) . .
C22 O49 Mo10 129.5(7) . .
Mo8 O50 Mo7 90.9(3) . .
P2 O50 Mo7 129.7(4) . .
P2 O50 Mo8 128.7(4) . .
Mo8 O51 Mo9 146.3(4) . .
Mo7 O52 Cs3 109.5(3) . .
Mo12 O52 Mo7 149.7(5) . .
Mo12 O52 Cs3 100.7(3) . .
Mo7 O53 Cs3 100.4(2) . .
C7 O53 Mo7 131.5(7) . .
C7 O53 Cs3 127.7(6) . .
Mo9 O54 Cs2 116.8(4) . .
Mo17 O59 Mo18 93.0(3) . .
P3 O59 Mo17 133.4(4) . .
P3 O59 Mo18 133.1(4) . .
Mo18 O61 Mo13 140.6(4) . .
Mo16 O62 Cs6 123.9(4) . 1_545
Mo16 O62 Cs7 129.9(4) . .
Cs7 O62 Cs6 105.8(3) . 1_545
Mo13 O63 Cs1 118.8(4) . .
Mo13 O63 Cs5 132.7(5) . 2_677
Cs5 O63 Cs1 94.3(2) 2_677 .
Mo15 O64 Cs1 104.9(2) . .
Mo16 O64 Mo15 91.6(2) . .
Mo16 O64 Cs1 106.3(2) . .
P3 O64 Mo15 126.9(4) . .
P3 O64 Mo16 133.5(4) . .
P3 O64 Cs1 89.5(3) . .
Mo15 O65 Cs5 99.0(3) . .
Mo16 O65 Mo15 121.4(4) . .
Mo16 O65 Cs5 100.1(3) . .
C21 O67 Mo14 130.0(7) . .
Mo18 O68 Cs1 126.8(4) . .
Mo18 O68 Cs5 123.8(4) . 2_677
Mo18 O68 Cs8 110.3(4) . .
Cs5 O68 Cs1 94.6(2) 2_677 .
Cs8 O68 Cs1 94.9(3) . .
Cs8 O68 Cs5 100.3(3) . 2_677
Mo14 O69 Mo15 140.6(4) . .
Mo17 O70 Mo18 121.6(4) . .
Mo17 O70 Cs8 94.1(3) . .
Mo18 O70 Cs8 91.4(3) . .
C21 O71 Mo13 130.9(7) . .
Mo14 O72 Cs8 136.8(5) . 1_655
Mo17 O73 Mo16 141.5(4) . .
Mo17 O74 Cs1 129.0(4) . .
Mo17 O74 Cs8 109.1(4) . .
Cs8 O74 Cs1 94.2(3) . .
Mo14 O75 Mo13 121.1(4) . .
Mo16 O76 Cs6 95.3(2) . 1_545
C28 O76 Mo16 132.1(6) . .
C28 O76 Cs6 101.4(6) . 1_545
Mo13 O77 Mo14 92.5(3) . .
Mo13 O77 Cs1 105.5(2) . .
Mo14 O77 Cs1 104.3(2) . .
P3 O77 Mo13 133.3(4) . .
P3 O77 Mo14 127.2(4) . .
P3 O77 Cs1 88.9(3) . .
Mo15 O78 Cs1 119.5(3) . .
Mo15 O78 Cs5 107.5(3) . .
Mo15 O78 Cs8 131.7(4) . 2_677
Cs5 O78 Cs1 92.2(2) . .
Cs8 O78 Cs1 94.6(2) 2_677 .
Cs8 O78 Cs5 104.0(3) 2_677 .
Mo16 O79 Cs1 116.7(4) . .
Mo16 O79 Cs5 107.2(4) . .
Cs5 O79 Cs1 90.9(2) . .
C28 O80 Mo15 130.8(6) . .
Mo14 O81 Cs1 118.8(4) . .
Mo14 O81 Cs8 131.9(4) . 2_677
Cs8 O81 Cs1 93.8(3) 2_677 .
O17 C1 C2 116.7(10) . .
O19 C1 O17 127.3(10) . .
O19 C1 C2 116.0(10) . .
N1 C2 C1 115.8(9) . .
N1 C2 C3 121.1(11) . .
C3 C2 C1 123.0(11) . .
C2 C3 H3 120.5 . .
C4 C3 C2 119.0(13) . .
C4 C3 H3 120.5 . .
C3 C4 H4 119.9 . .
C3 C4 C5 120.3(14) . .
C5 C4 H4 119.9 . .
C4 C5 H5 121.2 . .
C6 C5 C4 117.7(12) . .
C6 C5 H5 121.2 . .
N1 C6 C5 123.0(11) . .
N1 C6 C7 114.1(9) . .
C5 C6 C7 122.9(10) . .
O48 C7 O53 126.9(9) . .
O48 C7 C6 118.6(9) . .
O53 C7 C6 114.5(9) . .
O10 C8 O27 126.6(11) . .
O10 C8 C9 117.6(10) . .
O27 C8 C9 115.8(10) . .
N2 C9 C8 115.5(10) . .
N2 C9 C10 123.9(11) . .
C10 C9 C8 120.6(11) . .
C9 C10 H10 120.8 . .
C11 C10 C9 118.3(13) . .
C11 C10 H10 120.8 . .
C10 C11 H11 120.1 . .
C10 C11 C12 119.7(14) . .
C12 C11 H11 120.1 . .
C11 C12 H12 121.4 . .
C11 C12 C13 117.3(13) . .
C13 C12 H12 121.4 . .
N2 C13 C12 123.3(11) . .
N2 C13 C14 115.6(10) . .
C12 C13 C14 121.0(11) . .
O39 C14 C13 115.4(10) . .
O47 C14 O39 124.9(10) . .
O47 C14 C13 119.6(10) . .
O15 C15 C16 117.1(9) . .
O24 C15 O15 127.0(10) . .
O24 C15 C16 115.9(9) . .
N3 C16 C15 115.8(9) . .
N3 C16 C17 122.2(9) . .
C17 C16 C15 122.0(9) . .
C16 C17 H17 120.3 . .
C18 C17 C16 119.3(10) . .
C18 C17 H17 120.3 . .
C17 C18 H18 120.6 . .
C19 C18 C17 118.9(11) . .
C19 C18 H18 120.6 . .
C18 C19 H19 120.3 . .
C18 C19 C20 119.3(11) . .
C20 C19 H19 120.3 . .
N3 C20 C19 122.1(10) . .
N3 C20 C21 115.2(9) . .
C19 C20 C21 122.7(9) . .
O67 C21 C20 115.4(9) . .
O71 C21 O67 127.3(10) . .
O71 C21 C20 117.2(9) . .
O42 C22 C23 114.3(9) . .
O49 C22 O42 127.2(10) . .
O49 C22 C23 118.5(9) . .
N4 C23 C22 115.0(9) . .
N4 C23 C24 123.7(10) . .
C24 C23 C22 121.2(9) . .
C23 C24 H24 121.3 . .
C25 C24 C23 117.5(11) . .
C25 C24 H24 121.3 . .
C24 C25 H25 120.2 . .
C24 C25 C26 119.6(11) . .
C26 C25 H25 120.2 . .
C25 C26 H26 121.2 . .
C27 C26 C25 117.6(11) . .
C27 C26 H26 121.2 . .
N4 C27 C26 123.7(10) . .
N4 C27 C28 115.4(9) . .
C26 C27 C28 120.9(9) . .
O76 C28 Cs6 59.6(5) . 1_545
O76 C28 C27 117.0(9) . .
O80 C28 Cs6 129.1(6) . 1_545
O80 C28 O76 124.4(9) . .
O80 C28 C27 118.7(9) . .
C27 C28 Cs6 81.8(5) . 1_545
Cs8 O12W Cs8 92.7(4) . 2_577
Cs7 O14W Cs6 85.1(4) . 1_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 Cs4 4.143(4) 1_655
Mo1 O1 1.707(10) .
Mo1 O2 1.913(9) .
Mo1 O6 1.726(12) .
Mo1 O10 2.278(8) .
Mo1 O14 2.313(8) .
Mo1 O22 1.900(8) .
Mo2 Cs4 4.249(4) 1_655
Mo2 Cs7 4.267(5) 1_665
Mo2 O8 1.709(9) .
Mo2 O11 1.910(8) .
Mo2 O15 2.299(8) .
Mo2 O21 2.322(7) .
Mo2 O22 1.905(8) .
Mo2 O26 1.696(9) .
Mo3 Cs5 4.162(3) 1_565
Mo3 O11 1.940(8) .
Mo3 O12 1.709(10) .
Mo3 O16 1.688(9) .
Mo3 O18 1.895(8) .
Mo3 O21 2.333(7) .
Mo3 O24 2.275(8) .
Mo4 Cs5 4.408(3) 1_565
Mo4 Cs7 4.016(5) 1_565
Mo4 O5 1.700(10) .
Mo4 O17 2.343(8) .
Mo4 O18 1.882(8) .
Mo4 O20 1.705(10) .
Mo4 O23 2.329(7) .
Mo4 O25 1.940(9) .
Mo5 Cs3 4.104(3) .
Mo5 Cs4 3.873(4) .
Mo5 Cs6 4.451(4) .
Mo5 Cs7 4.154(5) 1_565
Mo5 O4 1.698(10) .
Mo5 O7 1.702(10) .
Mo5 O9 1.896(9) .
Mo5 O19 2.302(8) .
Mo5 O23 2.350(7) .
Mo5 O25 1.916(9) .
Mo6 Cs3 4.274(3) .
Mo6 Cs6 4.364(4) .
Mo6 O2 1.931(10) .
Mo6 O3 1.688(11) .
Mo6 O9 1.879(9) .
Mo6 O13 1.706(11) .
Mo6 O14 2.354(8) .
Mo6 O27 2.235(9) .
Mo7 Cs3 4.369(3) .
Mo7 O32 1.715(9) .
Mo7 O33 1.908(8) .
Mo7 O46 1.701(9) .
Mo7 O50 2.376(7) .
Mo7 O52 1.906(8) .
Mo7 O53 2.249(8) .
Mo9 Cs4 4.335(4) 1_545
Mo9 Cs6 4.273(4) 1_545
Mo9 O34 1.712(9) .
Mo9 O37 1.907(8) .
Mo9 O38 2.337(7) .
Mo9 O42 2.233(8) .
Mo9 O51 1.912(7) .
Mo9 O54 1.704(10) .
Mo8 O30 1.711(10) .
Mo8 O33 1.923(8) .
Mo8 O36 1.706(9) .
Mo8 O48 2.345(7) .
Mo8 O50 2.336(7) .
Mo8 O51 1.891(7) .
Mo10 Cs2 4.258(2) .
Mo10 O29 1.707(9) .
Mo10 O35 1.700(9) .
Mo10 O37 1.938(8) .
Mo10 O38 2.322(7) .
Mo10 O44 1.897(8) .
Mo10 O49 2.309(8) .
Mo11 Cs2 4.118(2) 2_576
Mo11 Cs2 4.460(2) .
Mo11 O31 1.703(10) .
Mo11 O39 2.240(8) .
Mo11 O40 1.903(8) .
Mo11 O41 1.717(9) .
Mo11 O44 1.902(8) .
Mo11 O45 2.335(8) .
Mo12 Cs2 4.128(2) 2_576
Mo12 Cs3 4.136(3) .
Mo12 O28 1.716(10) .
Mo12 O40 1.945(9) .
Mo12 O43 1.701(10) .
Mo12 O45 2.318(7) .
Mo12 O47 2.310(8) .
Mo12 O52 1.887(8) .
Mo13 Cs5 4.352(3) 2_677
Mo13 O60 1.699(10) .
Mo13 O61 1.906(8) .
Mo13 O63 1.696(10) .
Mo13 O71 2.274(8) .
Mo13 O75 1.938(8) .
Mo13 O77 2.318(7) .
Mo14 Cs8 4.240(7) 1_655
Mo14 Cs8 4.345(7) 2_677
Mo14 O67 2.284(7) .
Mo14 O69 1.897(7) .
Mo14 O72 1.705(9) .
Mo14 O75 1.925(7) .
Mo14 O77 2.337(7) .
Mo14 O81 1.708(8) .
Mo15 Cs5 4.013(3) .
Mo15 Cs8 4.269(7) 2_677
Mo15 O64 2.355(7) .
Mo15 O65 1.929(7) .
Mo15 O66 1.693(8) .
Mo15 O69 1.912(7) .
Mo15 O78 1.697(8) .
Mo15 O80 2.287(7) .
Mo16 Cs5 4.032(3) .
Mo16 Cs6 4.269(4) 1_545
Mo16 Cs7 4.266(5) .
Mo16 O62 1.718(9) .
Mo16 O64 2.321(7) .
Mo16 O65 1.915(7) .
Mo16 O73 1.915(7) .
Mo16 O76 2.262(7) .
Mo16 O79 1.718(9) .
Mo17 Cs8 4.083(7) .
Mo17 O55 2.391(11) .
Mo17 O58 1.705(11) .
Mo17 O59 2.311(8) .
Mo17 O70 1.912(8) .
Mo17 O73 1.886(7) .
Mo17 O74 1.693(9) .
Mo18 Cs5 4.364(3) 2_677
Mo18 Cs8 4.018(7) .
Mo18 O56 2.407(12) .
Mo18 O57 1.708(12) .
Mo18 O59 2.318(7) .
Mo18 O61 1.887(8) .
Mo18 O68 1.708(9) .
Mo18 O70 1.936(9) .
Cs1 O64 3.593(7) 2_677
Cs1 O64 3.593(7) .
Cs1 O68 3.565(9) 2_677
Cs1 O68 3.564(9) .
Cs1 O74 3.503(9) .
Cs1 O74 3.503(9) 2_677
Cs1 O77 3.601(7) 2_677
Cs1 O77 3.601(7) .
Cs1 O78 3.705(8) 2_677
Cs1 O78 3.705(8) .
Cs1 O81 3.687(9) .
Cs1 O81 3.687(9) 2_677
Cs2 Mo11 4.118(2) 2_576
Cs2 Mo12 4.128(2) 2_576
Cs2 P2 3.720(3) .
Cs2 O35 3.162(9) .
Cs2 O38 3.312(7) .
Cs2 O40 3.430(9) 2_576
Cs2 O41 3.340(9) .
Cs2 O41 3.153(9) 2_576
Cs2 O43 3.124(10) 2_576
Cs2 O45 3.501(8) .
Cs2 O54 3.526(10) .
Cs2 O18W 2.83(2) .
Cs3 N1 3.472(9) .
Cs3 N2 3.378(10) .
Cs3 O7 3.586(10) .
Cs3 O9 3.263(9) .
Cs3 O19 3.138(9) .
Cs3 O27 3.301(9) .
Cs3 O28 3.650(10) .
Cs3 O47 3.076(8) .
Cs3 O52 3.348(8) .
Cs3 O53 3.361(8) .
Cs3 O16W 3.808(17) .
Cs3 O22W 3.77(3) .
Cs4 Mo1 4.143(4) 1_455
Cs4 Mo2 4.249(4) 1_455
Cs4 Mo9 4.335(4) 1_565
Cs4 O4 3.187(10) .
Cs4 O6 3.178(12) 1_455
Cs4 O7 3.210(10) .
Cs4 O8 3.396(10) 1_455
Cs4 O22 3.645(9) 1_455
Cs4 O34 3.060(10) 1_565
Cs4 O11W 3.558(13) .
Cs4 O15W 3.169(16) .
Cs5 Mo3 4.162(3) 1_545
Cs5 Mo13 4.352(3) 2_677
Cs5 Mo18 4.364(3) 2_677
Cs5 O16 3.001(9) 1_545
Cs5 O20 3.158(10) 1_545
Cs5 O63 3.019(10) 2_677
Cs5 O65 3.230(8) .
Cs5 O68 3.176(10) 2_677
Cs5 O78 3.161(8) .
Cs5 O79 3.174(9) .
Cs6 Mo16 4.269(4) 1_565
Cs6 N4 3.291(10) 1_565
Cs6 O4 3.054(11) .
Cs6 O13 2.898(12) .
Cs6 O34 3.087(10) 1_565
Cs6 O42 3.348(9) 1_565
Cs6 O62 3.066(10) 1_565
Cs6 O76 3.419(8) 1_565
Cs6 C28 3.887(11) 1_565
Cs6 O4W 3.698(10) 1_565
Cs6 O7W 2.912(16) .
Cs6 O14W 3.678(17) 1_565
Cs7 Mo2 4.267(5) 1_445
Cs7 Mo4 4.016(5) 1_545
Cs7 Mo5 4.154(5) 1_545
Cs7 Cs6 4.801(7) 1_545
Cs7 O4 3.318(11) 1_545
Cs7 O8 3.049(10) 1_445
Cs7 O20 3.082(11) 1_545
Cs7 O25 3.316(10) 1_545
Cs7 O62 2.954(10) .
Cs7 O14W 3.414(17) .
Cs7 O20W 3.59(2) 1_465
Cs8 Mo14 4.240(7) 1_455
Cs8 Mo15 4.269(7) 2_677
Cs8 O68 3.093(12) .
Cs8 O70 3.473(11) .
Cs8 O72 2.834(11) 1_455
Cs8 O74 3.202(11) .
Cs8 O78 2.948(10) 2_677
Cs8 O81 3.014(11) 2_677
Cs8 O12W 2.895(17) .
Cs8 O12W 3.486(17) 2_577
P1 O14 1.516(8) .
P1 O21 1.527(8) .
P1 O23 1.521(8) .
P2 O38 1.522(7) .
P2 O45 1.524(8) .
P2 O50 1.515(8) .
P3 O59 1.531(8) .
P3 O64 1.518(7) .
P3 O77 1.530(8) .
N1 C2 1.342(14) .
N1 C6 1.325(14) .
N2 C9 1.336(15) .
N2 C13 1.329(14) .
N3 C16 1.329(13) .
N3 C20 1.347(13) .
N4 Cs6 3.291(10) 1_545
N4 C23 1.335(13) .
N4 C27 1.342(13) .
O4 Cs7 3.318(11) 1_565
O6 Cs4 3.178(12) 1_655
O8 Cs4 3.396(10) 1_655
O8 Cs7 3.049(10) 1_665
O10 C8 1.239(14) .
O15 C15 1.247(13) .
O16 Cs5 3.001(9) 1_565
O17 C1 1.237(13) .
O19 C1 1.239(13) .
O20 Cs5 3.158(10) 1_565
O20 Cs7 3.082(11) 1_565
O22 Cs4 3.645(8) 1_655
O24 C15 1.234(13) .
O25 Cs7 3.316(10) 1_565
O27 C8 1.263(14) .
O34 Cs4 3.060(10) 1_545
O34 Cs6 3.087(10) 1_545
O39 C14 1.275(14) .
O40 Cs2 3.430(8) 2_576
O41 Cs2 3.153(9) 2_576
O42 Cs6 3.348(9) 1_545
O42 C22 1.274(13) .
O43 Cs2 3.124(10) 2_576
O47 C14 1.259(13) .
O48 C7 1.243(12) .
O49 C22 1.232(13) .
O53 C7 1.266(12) .
O62 Cs6 3.067(10) 1_545
O63 Cs5 3.019(10) 2_677
O67 C21 1.252(13) .
O68 Cs5 3.176(10) 2_677
O71 C21 1.239(13) .
O72 Cs8 2.834(11) 1_655
O76 Cs6 3.419(8) 1_545
O76 C28 1.292(12) .
O78 Cs8 2.948(10) 2_677
O80 C28 1.256(12) .
O81 Cs8 3.014(11) 2_677
C1 C2 1.508(15) .
C2 C3 1.397(17) .
C3 H3 0.9300 .
C3 C4 1.344(19) .
C4 H4 0.9300 .
C4 C5 1.388(19) .
C5 H5 0.9300 .
C5 C6 1.374(17) .
C6 C7 1.514(14) .
C8 C9 1.521(16) .
C9 C10 1.369(18) .
C10 H10 0.9300 .
C10 C11 1.37(2) .
C11 H11 0.9300 .
C11 C12 1.39(2) .
C12 H12 0.9300 .
C12 C13 1.394(17) .
C13 C14 1.491(15) .
C15 C16 1.506(14) .
C16 C17 1.388(15) .
C17 H17 0.9300 .
C17 C18 1.381(16) .
C18 H18 0.9300 .
C18 C19 1.353(16) .
C19 H19 0.9300 .
C19 C20 1.396(15) .
C20 C21 1.505(14) .
C22 C23 1.528(14) .
C23 C24 1.389(15) .
C24 H24 0.9300 .
C24 C25 1.385(16) .
C25 H25 0.9300 .
C25 C26 1.409(16) .
C26 H26 0.9300 .
C26 C27 1.371(15) .
C27 C28 1.493(14) .
C28 Cs6 3.887(11) 1_545
O4W Cs6 3.698(10) 1_545
O12W Cs8 3.486(17) 2_577
O14W Cs6 3.678(16) 1_545
O20W Cs7 3.59(2) 1_645
