# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_njy1
_database_code_depnum_ccdc_archive 'CCDC 1567167'
_audit_update_record             
;
2017-08-07 deposited with the CCDC.
2018-04-02 downloaded from the CCDC.
;
_audit_creation_date             2017-02-25
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C9 Ni3 O71 P2 Re3 W15, 20(O)'
_chemical_formula_sum            'C9 H46 Ni3 O91 P2 Re3 W15'
_chemical_formula_weight         5164.88
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   14.5956(7)
_cell_length_b                   22.3215(11)
_cell_length_c                   14.8504(7)
_cell_angle_alpha                90
_cell_angle_beta                 91.1100(10)
_cell_angle_gamma                90
_cell_volume                     4837.3(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6125
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.18
_shelx_estimated_absorpt_T_max   0.160
_shelx_estimated_absorpt_T_min   0.046
_exptl_absorpt_coefficient_mu    22.199
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.2740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1608 before and 0.0521 after correction.
The Ratio of minimum to maximum transmission is 0.3674.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    3.546
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4554
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25112
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.099
_diffrn_reflns_theta_max         25.099
_diffrn_reflns_theta_min         1.825
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6786
_reflns_number_total             8806
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL-2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_refine_diff_density_max         2.938
_refine_diff_density_min         -1.567
_refine_diff_density_rms         0.333
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         8806
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0406
_refine_ls_restrained_S_all      1.015
_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)+(0.0456P)²+79.4605P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0994
_refine_ls_wR_factor_ref         0.1100
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(P2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
2. Others
 Fixed Sof: O1W(0.5) O1BW(0.5)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
W1 W 0.76608(3) 0.67489(2) 0.47828(4) 0.02030(14) Uani 1 1 d . . . . .
W2 W 0.74642(3) 0.59312(2) 0.26633(4) 0.02135(14) Uani 1 1 d . . . . .
W3 W 0.48830(3) 0.59260(2) 0.28456(4) 0.02209(14) Uani 1 1 d . . . . .
W4 W 0.72644(3) 0.66828(2) 0.07075(4) 0.02129(14) Uani 1 1 d . . . . .
W5 W 0.46796(3) 0.66706(3) 0.09021(4) 0.02224(14) Uani 1 1 d . . . . .
W6 W 0.50864(3) 0.67486(2) 0.50011(4) 0.02094(14) Uani 1 1 d . . . . .
W7 W 0.26683(5) 0.7500 0.17737(6) 0.0257(2) Uani 1 2 d S T P . .
W8 W 0.28673(4) 0.67380(3) 0.37419(4) 0.02475(15) Uani 1 1 d . . . . .
P1 P 0.7585(3) 0.7500 0.2710(3) 0.0157(10) Uani 1 2 d S T P . .
P2 P 0.4778(3) 0.7500 0.2927(3) 0.0148(10) Uani 1 2 d S TU P . .
Ni1 Ni 0.95505(15) 0.7500 0.37694(17) 0.0192(5) Uani 1 2 d S T P . .
Ni2 Ni 0.93699(11) 0.67936(7) 0.19629(12) 0.0200(4) Uani 1 1 d . . . . .
Re1 Re 0.96043(4) 0.60518(2) 0.38575(4) 0.02462(15) Uani 1 1 d . . . . .
Re2 Re 0.92605(5) 0.7500 0.00427(6) 0.0268(2) Uani 1 2 d S T P . .
O1 O 0.7342(7) 0.7500 0.3712(8) 0.013(2) Uiso 1 2 d S T P . .
O2 O 0.8667(6) 0.6164(4) 0.2696(6) 0.022(2) Uiso 1 1 d . . . . .
O3 O 0.7258(6) 0.6212(4) 0.3861(6) 0.022(2) Uiso 1 1 d . . . . .
O4 O 0.8806(6) 0.6809(4) 0.4299(6) 0.022(2) Uiso 1 1 d . . . . .
O5 O 0.6102(6) 0.5900(4) 0.2570(6) 0.024(2) Uiso 1 1 d . . . . .
O6 O 0.8468(6) 0.6874(4) 0.0862(6) 0.025(2) Uiso 1 1 d . . . . .
O7 O 0.5173(7) 0.7500 0.3879(8) 0.014(3) Uiso 1 2 d S T P . .
O8 O 0.7419(6) 0.5953(4) 0.1368(6) 0.022(2) Uiso 1 1 d . . . . .
O9 O 0.5914(6) 0.6556(4) 0.0848(6) 0.025(2) Uiso 1 1 d . . . . .
O10 O 0.7809(8) 0.7500 0.5396(9) 0.022(3) Uiso 1 2 d S T P . .
O11 O 0.4931(8) 0.7500 0.5618(9) 0.024(3) Uiso 1 2 d S T P . .
O12 O 0.8655(8) 0.7500 0.2637(8) 0.019(3) Uiso 1 2 d S T P . .
O13 O 1.0162(6) 0.6799(4) 0.3108(6) 0.020(2) Uiso 1 1 d . . . . .
O14 O 0.7888(6) 0.6256(4) 0.5638(7) 0.032(2) Uiso 1 1 d . . . . .
O15 O 0.3640(6) 0.6218(4) 0.3117(6) 0.028(2) Uiso 1 1 d . . . . .
O16 O 0.6917(8) 0.7500 0.0506(9) 0.023(3) Uiso 1 2 d S T P . .
O17 O 0.2409(9) 0.7500 0.4169(9) 0.026(3) Uiso 1 2 d S T P . .
O18 O 0.9946(8) 0.7500 0.1329(9) 0.022(3) Uiso 1 2 d S T P . .
O19 O 0.4335(7) 0.6401(5) -0.0134(7) 0.036(3) Uiso 1 1 d . . . . .
O20 O 0.7202(6) 0.8065(4) 0.2241(6) 0.0180(19) Uiso 1 1 d . . . . .
O21 O 0.6342(6) 0.6833(4) 0.5018(6) 0.022(2) Uiso 1 1 d . . . . .
O22 O 0.4828(9) 0.7500 0.0682(9) 0.026(3) Uiso 1 2 d S T P . .
O23 O 0.5038(6) 0.8064(4) 0.2422(6) 0.0194(19) Uiso 1 1 d . . . . .
O24 O 0.3698(8) 0.7500 0.3013(8) 0.017(3) Uiso 1 2 d S T P . .
O25 O 0.3446(6) 0.8083(4) 0.1307(6) 0.025(2) Uiso 1 1 d . . . . .
O26 O 0.4508(6) 0.5959(4) 0.1600(6) 0.028(2) Uiso 1 1 d . . . . .
O27 O 0.4947(7) 0.6268(5) 0.5890(7) 0.035(2) Uiso 1 1 d . . . . .
O28 O 0.4688(7) 0.5175(4) 0.3049(7) 0.032(2) Uiso 1 1 d . . . . .
O29 O 0.7273(7) 0.6420(4) -0.0374(7) 0.033(2) Uiso 1 1 d . . . . .
O30 O 0.2126(7) 0.6251(5) 0.4241(7) 0.039(3) Uiso 1 1 d . . . . .
O31 O 0.1772(10) 0.7500 0.0994(10) 0.038(4) Uiso 1 2 d S T P . .
O32 O 0.2217(7) 0.8086(4) 0.2633(7) 0.033(2) Uiso 1 1 d . . . . .
O33 O 0.7585(7) 0.5170(4) 0.2839(7) 0.033(2) Uiso 1 1 d . . . . .
O34 O 0.3791(6) 0.6797(4) 0.4641(6) 0.023(2) Uiso 1 1 d . . . . .
O35 O 0.5179(6) 0.6207(4) 0.4032(6) 0.024(2) Uiso 1 1 d . . . . .
O36 O 1.0509(10) 0.7500 0.4808(10) 0.039(4) Uiso 1 2 d S T P . .
O37 O 1.0225(6) 0.6096(4) 0.1291(6) 0.0174(19) Uiso 1 1 d . . . . .
O38 O 1.0723(8) 0.6116(5) 0.5583(8) 0.048(3) Uiso 1 1 d . . . . .
O39 O 0.8541(8) 0.5065(5) 0.4797(8) 0.048(3) Uiso 1 1 d . . . . .
O40 O 1.0839(9) 0.5074(6) 0.3131(9) 0.062(4) Uiso 1 1 d . . . . .
O41 O 0.8084(14) 0.7500 -0.1654(14) 0.070(6) Uiso 1 2 d S T P . .
O42 O 1.0429(11) 0.8428(8) -0.0871(11) 0.089(5) Uiso 1 1 d . . . . .
C1 C 0.8966(10) 0.5455(7) 0.4450(11) 0.035(4) Uiso 1 1 d . . . . .
C2 C 1.0336(10) 0.6074(7) 0.4911(11) 0.033(4) Uiso 1 1 d . . . . .
C3 C 1.0352(11) 0.5456(8) 0.3398(11) 0.041(4) Uiso 1 1 d . . . . .
C4 C 0.9981(12) 0.8059(8) -0.0521(12) 0.048(4) Uiso 1 1 d . . . . .
C5 C 0.8542(16) 0.7500 -0.1003(17) 0.040(6) Uiso 1 2 d S T P . .
O1W O 0.378(3) 0.4880(17) 0.533(3) 0.097(13) Uiso 0.5 1 d . . . A 1
O1BW O 0.418(2) 0.4969(14) 0.511(2) 0.065(8) Uiso 0.5 1 d . . . B 2
O2W O 0.9341(15) 0.6369(10) 0.7148(15) 0.134(7) Uiso 1 1 d . . . . .
O3W O 0.204(2) 0.9149(14) 0.139(2) 0.200(12) Uiso 1 1 d . . . . .
O4W O 0.2851(15) 0.5919(10) 0.6023(15) 0.129(7) Uiso 1 1 d . . . . .
O5W O 0.6540(19) 0.7500 0.6927(19) 0.114(9) Uiso 1 2 d S T P . .
O6W O 0.6114(19) 0.4975(13) 0.0820(19) 0.181(11) Uiso 1 1 d . . . . .
O7W O 0.283(2) 0.7500 0.623(2) 0.157(13) Uiso 1 2 d S T P . .
O8W O 1.105(2) 0.5710(16) 0.757(2) 0.224(14) Uiso 1 1 d . . . . .
O9W O 0.407(2) 0.4739(14) 0.091(2) 0.196(12) Uiso 1 1 d . . . . .
O10W O 0.2827(14) 0.4916(9) 0.3650(13) 0.114(6) Uiso 1 1 d . . . . .
O11W O -0.006(2) 0.7500 0.663(2) 0.119(9) Uiso 1 2 d S T P . .
O12W O 0.581(2) 0.7500 0.881(2) 0.153(12) Uiso 1 2 d S T P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O1 2.351(8) . ?
W1 O3 1.903(9) . ?
W1 O4 1.837(9) . ?
W1 O10 1.918(6) . ?
W1 O14 1.707(10) . ?
W1 O21 1.972(9) . ?
W2 O2 1.831(9) . ?
W2 O3 1.916(9) . ?
W2 O5 1.991(9) . ?
W2 O8 1.924(9) . ?
W2 O20 2.357(8) 4_575 ?
W2 O33 1.728(10) . ?
W3 O5 1.835(9) . ?
W3 O15 1.977(9) . ?
W3 O23 2.354(8) 4_575 ?
W3 O26 1.920(10) . ?
W3 O28 1.728(10) . ?
W3 O35 1.912(9) . ?
W4 O6 1.818(9) . ?
W4 O8 1.912(9) . ?
W4 O9 2.006(9) . ?
W4 O16 1.915(4) . ?
W4 O20 2.350(9) 4_575 ?
W4 O29 1.710(10) . ?
W5 O9 1.823(9) . ?
W5 O19 1.719(10) . ?
W5 O22 1.893(3) . ?
W5 O23 2.381(9) 4_575 ?
W5 O25 1.986(9) 4_575 ?
W5 O26 1.916(9) . ?
W6 O7 2.370(8) . ?
W6 O11 1.927(6) . ?
W6 O21 1.842(9) . ?
W6 O27 1.716(10) . ?
W6 O34 1.958(9) . ?
W6 O35 1.886(9) . ?
W7 O24 2.354(12) . ?
W7 O25 1.870(9) 4_575 ?
W7 O25 1.870(9) . ?
W7 O31 1.730(15) . ?
W7 O32 1.951(10) 4_575 ?
W7 O32 1.951(10) . ?
W8 O15 1.877(9) . ?
W8 O17 1.939(6) . ?
W8 O24 2.363(8) . ?
W8 O30 1.712(10) . ?
W8 O32 1.925(10) 4_575 ?
W8 O34 1.883(9) . ?
P1 O1 1.536(12) . ?
P1 O12 1.568(12) . ?
P1 O20 1.540(9) 4_575 ?
P1 O20 1.540(9) . ?
P2 O7 1.515(12) . ?
P2 O23 1.517(9) 4_575 ?
P2 O23 1.517(9) . ?
P2 O24 1.585(12) . ?
Ni1 O4 2.052(9) . ?
Ni1 O4 2.052(9) 4_575 ?
Ni1 O12 2.110(12) . ?
Ni1 O13 2.060(9) 4_575 ?
Ni1 O13 2.060(9) . ?
Ni1 O36 2.061(16) . ?
Ni2 O2 2.064(9) . ?
Ni2 O6 2.087(9) . ?
Ni2 O12 2.148(8) . ?
Ni2 O13 2.037(9) . ?
Ni2 O18 2.028(8) . ?
Ni2 O37 2.241(8) . ?
Re1 O2 2.194(9) . ?
Re1 O4 2.163(9) . ?
Re1 O13 2.172(8) . ?
Re1 C1 1.857(16) . ?
Re1 C2 1.878(16) . ?
Re1 C3 1.858(17) . ?
Re2 O6 2.197(9) . ?
Re2 O6 2.197(9) 4_575 ?
Re2 O18 2.139(13) . ?
Re2 C4 1.844(19) 4_575 ?
Re2 C4 1.844(19) . ?
Re2 C5 1.86(3) . ?
O1 W1 2.351(8) 4_575 ?
O7 W6 2.370(8) 4_575 ?
O10 W1 1.918(6) 4_575 ?
O11 W6 1.927(6) 4_575 ?
O12 Ni2 2.148(8) 4_575 ?
O16 W4 1.915(4) 4_575 ?
O17 W8 1.939(6) 4_575 ?
O18 Ni2 2.028(8) 4_575 ?
O20 W2 2.357(8) 4_575 ?
O20 W4 2.350(9) 4_575 ?
O22 W5 1.893(3) 4_575 ?
O23 W3 2.354(8) 4_575 ?
O23 W5 2.381(9) 4_575 ?
O24 W8 2.363(8) 4_575 ?
O25 W5 1.986(9) 4_575 ?
O32 W8 1.925(10) 4_575 ?
O38 C2 1.141(17) . ?
O39 C1 1.191(18) . ?
O40 C3 1.184(19) . ?
O41 C5 1.17(3) . ?
O42 C4 1.18(2) . ?

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
_geom_angle_publ_flag
O3 W1 O1 84.8(3) . . ?
O3 W1 O10 157.2(4) . . ?
O3 W1 O21 84.2(4) . . ?
O4 W1 O1 81.5(4) . . ?
O4 W1 O3 92.0(4) . . ?
O4 W1 O10 91.5(5) . . ?
O4 W1 O21 163.9(4) . . ?
O10 W1 O1 73.5(4) . . ?
O10 W1 O21 86.2(4) . . ?
O14 W1 O1 174.5(4) . . ?
O14 W1 O3 100.5(4) . . ?
O14 W1 O4 100.0(4) . . ?
O14 W1 O10 101.1(5) . . ?
O14 W1 O21 96.1(4) . . ?
O21 W1 O1 82.6(4) . . ?
O2 W2 O3 92.9(4) . . ?
O2 W2 O5 165.4(4) . . ?
O2 W2 O8 91.9(4) . . ?
O2 W2 O20 83.6(3) . 4_575 ?
O3 W2 O5 84.4(4) . . ?
O3 W2 O8 156.5(4) . . ?
O3 W2 O20 84.7(3) . 4_575 ?
O5 W2 O20 81.8(3) . 4_575 ?
O8 W2 O5 85.2(4) . . ?
O8 W2 O20 73.0(3) . 4_575 ?
O33 W2 O2 100.3(4) . . ?
O33 W2 O3 101.5(4) . . ?
O33 W2 O5 94.3(4) . . ?
O33 W2 O8 100.2(4) . . ?
O33 W2 O20 172.4(4) . 4_575 ?
O5 W3 O15 162.6(4) . . ?
O5 W3 O23 82.7(3) . 4_575 ?
O5 W3 O26 92.6(4) . . ?
O5 W3 O35 90.8(4) . . ?
O15 W3 O23 80.3(3) . 4_575 ?
O26 W3 O15 86.4(4) . . ?
O26 W3 O23 74.5(3) . 4_575 ?
O28 W3 O5 99.9(4) . . ?
O28 W3 O15 97.4(4) . . ?
O28 W3 O23 173.4(4) . 4_575 ?
O28 W3 O26 99.3(4) . . ?
O28 W3 O35 101.1(4) . . ?
O35 W3 O15 84.0(4) . . ?
O35 W3 O23 84.9(3) . 4_575 ?
O35 W3 O26 158.5(4) . . ?
O6 W4 O8 91.8(4) . . ?
O6 W4 O9 165.7(4) . . ?
O6 W4 O16 92.8(5) . . ?
O6 W4 O20 82.9(4) . 4_575 ?
O8 W4 O9 86.2(4) . . ?
O8 W4 O16 156.9(5) . . ?
O8 W4 O20 73.4(3) . 4_575 ?
O9 W4 O20 82.9(3) . 4_575 ?
O16 W4 O9 83.8(4) . . ?
O16 W4 O20 84.7(4) . 4_575 ?
O29 W4 O6 100.0(4) . . ?
O29 W4 O8 100.7(4) . . ?
O29 W4 O9 94.3(4) . . ?
O29 W4 O16 100.8(5) . . ?
O29 W4 O20 173.6(4) . 4_575 ?
O9 W5 O22 90.8(5) . . ?
O9 W5 O23 83.0(3) . 4_575 ?
O9 W5 O25 162.6(4) . 4_575 ?
O9 W5 O26 92.7(4) . . ?
O19 W5 O9 100.6(4) . . ?
O19 W5 O22 102.8(5) . . ?
O19 W5 O23 172.2(4) . 4_575 ?
O19 W5 O25 96.7(4) . 4_575 ?
O19 W5 O26 98.9(4) . . ?
O22 W5 O23 84.0(5) . 4_575 ?
O22 W5 O25 83.6(5) . 4_575 ?
O22 W5 O26 157.0(5) . . ?
O25 W5 O23 80.1(3) 4_575 4_575 ?
O26 W5 O23 73.9(3) . 4_575 ?
O26 W5 O25 86.4(4) . 4_575 ?
O11 W6 O7 74.2(4) . . ?
O11 W6 O34 87.7(5) . . ?
O21 W6 O7 82.6(4) . . ?
O21 W6 O11 91.7(5) . . ?
O21 W6 O34 162.4(4) . . ?
O21 W6 O35 89.4(4) . . ?
O27 W6 O7 172.9(4) . . ?
O27 W6 O11 99.3(5) . . ?
O27 W6 O21 100.7(4) . . ?
O27 W6 O34 96.7(4) . . ?
O27 W6 O35 101.4(4) . . ?
O34 W6 O7 80.4(4) . . ?
O35 W6 O7 84.9(3) . . ?
O35 W6 O11 158.7(4) . . ?
O35 W6 O34 84.8(4) . . ?
O25 W7 O24 84.7(4) 4_575 . ?
O25 W7 O24 84.7(4) . . ?
O25 W7 O25 88.3(6) . 4_575 ?
O25 W7 O32 157.6(4) . 4_575 ?
O25 W7 O32 89.4(4) . . ?
O25 W7 O32 157.6(4) 4_575 . ?
O25 W7 O32 89.4(4) 4_575 4_575 ?
O31 W7 O24 170.6(6) . . ?
O31 W7 O25 102.0(4) . 4_575 ?
O31 W7 O25 102.0(4) . . ?
O31 W7 O32 100.2(5) . 4_575 ?
O31 W7 O32 100.2(5) . . ?
O32 W7 O24 72.9(4) 4_575 . ?
O32 W7 O24 72.9(4) . . ?
O32 W7 O32 84.2(6) 4_575 . ?
O15 W8 O17 156.8(4) . . ?
O15 W8 O24 84.3(4) . . ?
O15 W8 O32 89.7(4) . 4_575 ?
O15 W8 O34 88.0(4) . . ?
O17 W8 O24 72.6(4) . . ?
O30 W8 O15 102.2(4) . . ?
O30 W8 O17 101.0(5) . . ?
O30 W8 O24 171.5(4) . . ?
O30 W8 O32 101.2(5) . 4_575 ?
O30 W8 O34 100.8(5) . . ?
O32 W8 O17 86.2(5) 4_575 . ?
O32 W8 O24 73.2(4) 4_575 . ?
O34 W8 O17 87.3(5) . . ?
O34 W8 O24 84.7(4) . . ?
O34 W8 O32 157.9(4) . 4_575 ?
O1 P1 O12 108.4(7) . . ?
O1 P1 O20 110.5(4) . 4_575 ?
O1 P1 O20 110.5(4) . . ?
O20 P1 O12 108.8(4) . . ?
O20 P1 O12 108.8(4) 4_575 . ?
O20 P1 O20 109.9(7) . 4_575 ?
O7 P2 O23 111.5(4) . 4_575 ?
O7 P2 O23 111.5(4) . . ?
O7 P2 O24 106.6(7) . . ?
O23 P2 O23 112.0(7) 4_575 . ?
O23 P2 O24 107.4(4) . . ?
O23 P2 O24 107.4(4) 4_575 . ?
O4 Ni1 O4 97.4(5) . 4_575 ?
O4 Ni1 O12 88.9(3) . . ?
O4 Ni1 O12 88.9(3) 4_575 . ?
O4 Ni1 O13 81.3(3) 4_575 4_575 ?
O4 Ni1 O13 81.3(3) . . ?
O4 Ni1 O13 172.3(4) 4_575 . ?
O4 Ni1 O13 172.3(4) . 4_575 ?
O4 Ni1 O36 94.0(4) . . ?
O4 Ni1 O36 94.0(4) 4_575 . ?
O13 Ni1 O12 83.5(3) . . ?
O13 Ni1 O12 83.5(3) 4_575 . ?
O13 Ni1 O13 98.9(5) 4_575 . ?
O13 Ni1 O36 93.6(4) 4_575 . ?
O13 Ni1 O36 93.6(4) . . ?
O36 Ni1 O12 175.5(5) . . ?
O2 Ni2 O6 99.2(4) . . ?
O2 Ni2 O12 90.2(3) . . ?
O2 Ni2 O37 92.8(3) . . ?
O6 Ni2 O12 89.9(4) . . ?
O6 Ni2 O37 93.4(3) . . ?
O12 Ni2 O37 175.2(4) . . ?
O13 Ni2 O2 81.0(3) . . ?
O13 Ni2 O6 173.0(3) . . ?
O13 Ni2 O12 83.1(4) . . ?
O13 Ni2 O37 93.6(3) . . ?
O18 Ni2 O2 171.9(4) . . ?
O18 Ni2 O6 80.2(4) . . ?
O18 Ni2 O12 81.7(4) . . ?
O18 Ni2 O13 98.6(4) . . ?
O18 Ni2 O37 95.4(4) . . ?
O4 Re1 O2 79.5(3) . . ?
O4 Re1 O13 76.4(3) . . ?
O13 Re1 O2 75.2(3) . . ?
C1 Re1 O2 98.2(5) . . ?
C1 Re1 O4 98.0(5) . . ?
C1 Re1 O13 171.9(5) . . ?
C1 Re1 C2 84.7(7) . . ?
C1 Re1 C3 87.9(7) . . ?
C2 Re1 O2 170.9(5) . . ?
C2 Re1 O4 91.6(5) . . ?
C2 Re1 O13 101.2(5) . . ?
C3 Re1 O2 98.9(6) . . ?
C3 Re1 O4 174.0(6) . . ?
C3 Re1 O13 97.6(6) . . ?
C3 Re1 C2 89.8(7) . . ?
O6 Re2 O6 79.0(5) . 4_575 ?
O18 Re2 O6 75.4(3) . . ?
O18 Re2 O6 75.4(3) . 4_575 ?
C4 Re2 O6 173.4(6) 4_575 4_575 ?
C4 Re2 O6 97.6(6) 4_575 . ?
C4 Re2 O6 97.6(6) . 4_575 ?
C4 Re2 O6 173.4(6) . . ?
C4 Re2 O18 98.3(6) 4_575 . ?
C4 Re2 O18 98.3(6) . . ?
C4 Re2 C4 85.2(11) . 4_575 ?
C4 Re2 C5 86.5(8) . . ?
C4 Re2 C5 86.5(8) 4_575 . ?
C5 Re2 O6 99.7(6) . 4_575 ?
C5 Re2 O6 99.7(6) . . ?
C5 Re2 O18 173.5(8) . . ?
W1 O1 W1 91.0(4) . 4_575 ?
P1 O1 W1 127.5(3) . . ?
P1 O1 W1 127.5(3) . 4_575 ?
W2 O2 Ni2 131.7(5) . . ?
W2 O2 Re1 124.9(5) . . ?
Ni2 O2 Re1 100.6(4) . . ?
W1 O3 W2 145.3(5) . . ?
W1 O4 Ni1 134.3(5) . . ?
W1 O4 Re1 124.1(4) . . ?
Ni1 O4 Re1 100.3(4) . . ?
W3 O5 W2 162.7(5) . . ?
W4 O6 Ni2 132.2(5) . . ?
W4 O6 Re2 126.7(5) . . ?
Ni2 O6 Re2 99.1(4) . . ?
W6 O7 W6 90.1(4) 4_575 . ?
P2 O7 W6 129.1(3) . . ?
P2 O7 W6 129.1(3) . 4_575 ?
W4 O8 W2 122.4(5) . . ?
W5 O9 W4 163.5(5) . . ?
W1 O10 W1 121.9(7) . 4_575 ?
W6 O11 W6 121.0(7) . 4_575 ?
P1 O12 Ni1 123.1(7) . . ?
P1 O12 Ni2 121.7(4) . . ?
P1 O12 Ni2 121.7(4) . 4_575 ?
Ni1 O12 Ni2 94.2(4) . 4_575 ?
Ni1 O12 Ni2 94.2(4) . . ?
Ni2 O12 Ni2 94.4(5) . 4_575 ?
Ni1 O13 Re1 99.7(4) . . ?
Ni2 O13 Ni1 99.1(4) . . ?
Ni2 O13 Re1 102.2(4) . . ?
W8 O15 W3 150.1(5) . . ?
W4 O16 W4 144.5(7) 4_575 . ?
W8 O17 W8 122.7(7) . 4_575 ?
Ni2 O18 Ni2 102.1(6) . 4_575 ?
Ni2 O18 Re2 102.9(4) . . ?
Ni2 O18 Re2 102.9(4) 4_575 . ?
W4 O20 W2 91.2(3) 4_575 4_575 ?
P1 O20 W2 127.0(5) . 4_575 ?
P1 O20 W4 127.9(5) . 4_575 ?
W6 O21 W1 164.2(5) . . ?
W5 O22 W5 155.9(8) 4_575 . ?
W3 O23 W5 89.7(3) 4_575 4_575 ?
P2 O23 W3 129.5(5) . 4_575 ?
P2 O23 W5 128.6(5) . 4_575 ?
W7 O24 W8 91.9(3) . . ?
W7 O24 W8 91.9(3) . 4_575 ?
W8 O24 W8 92.1(4) . 4_575 ?
P2 O24 W7 123.9(7) . . ?
P2 O24 W8 123.8(4) . 4_575 ?
P2 O24 W8 123.8(4) . . ?
W7 O25 W5 149.9(5) . 4_575 ?
W5 O26 W3 121.0(5) . . ?
W8 O32 W7 122.0(5) 4_575 . ?
W8 O34 W6 149.8(5) . . ?
W6 O35 W3 153.5(5) . . ?
O39 C1 Re1 177.3(14) . . ?
O38 C2 Re1 174.2(14) . . ?
O40 C3 Re1 178.0(16) . . ?
O42 C4 Re2 178.3(18) . . ?
O41 C5 Re2 179(2) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
