# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_njy1
_database_code_depnum_ccdc_archive 'CCDC 1939767'
loop_
_audit_author_name
_audit_author_address
'Jingkun Lu' 'Henan University'
_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2019-10-24 downloaded from the CCDC.
;
_audit_creation_date             2016-08-26
_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         'C6 O68 P2 Re2 W17, 6(C4 N), 7(O)'
_chemical_formula_sum            'C30 H83 N6 O75 P2 Re2 W17'
_chemical_formula_weight         5287.81
_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'
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'
W W -0.8490 6.8722 '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'

_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      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   28.1534(16)
_cell_length_b                   13.4987(8)
_cell_length_c                   31.1648(19)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11843.7(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7137
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.96
_cell_measurement_theta_min      2.19
_shelx_estimated_absorpt_T_max   0.119
_shelx_estimated_absorpt_T_min   0.090
_exptl_absorpt_coefficient_mu    18.581
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4437
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1312 before and 0.0595 after correction.
The Ratio of minimum to maximum transmission is 0.5950.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.966
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             9372
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0884
_diffrn_reflns_av_unetI/netI     0.0627
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            60380
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.099
_diffrn_reflns_theta_max         25.099
_diffrn_reflns_theta_min         1.587
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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                7540
_reflns_number_total             11004
_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 (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_refine_diff_density_max         3.608
_refine_diff_density_min         -2.872
_refine_diff_density_rms         0.338
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         11004
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0606
_refine_ls_restrained_S_all      1.084
_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)+(0.0438P)²+476.1622P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1273
_refine_ls_wR_factor_ref         0.1463
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 N2-C7 = N2-C8 = N2-C9
 1.47 with sigma of 0.02
 N3-C10 = N3-C11 = N3-C12
 1.47 with sigma of 0.02
 N4-C13 = N4-C14 = N4-C15
 1.47 with sigma of 0.02
 N5-C16 = N5-C17 = N5-C18
 1.47 with sigma of 0.02
 N6-C19 = N6-C20 = N6-C21
 1.47 with sigma of 0.02
 C7-C8 \\sim C7-C9 \\sim C8-C9
 with sigma of 0.02
 C10-C11 \\sim C10-C12 \\sim C11-C12
 with sigma of 0.02
 C13-C14 \\sim C13-C15 \\sim C14-C15 \\sim C13-C15_$1 \\sim C14-C15_$1 \\sim
C15-C15_$1
 with sigma of 0.02
 C16-C17 \\sim C16-C18 \\sim C17-C18
 with sigma of 0.02
 C19-C20 \\sim C19-C21 \\sim C20-C21 \\sim C19-C21_$2 \\sim C20-C21_$2 \\sim
C21-C21_$2
 with sigma of 0.02
2. Others
 Fixed Sof: O4W(0.5) O5W(0.5) O6W(0.5)
 Fixed Uiso: C12(0.19951) C14(0.18735) C16(0.20517) C17(0.2292) C18(0.16317)
 C19(0.1564) C20(0.19532) C21(0.21238)
;
_atom_sites_solution_hydrogens   constr
_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 0.27936(3) 0.12487(6) 0.66124(3) 0.0398(2) Uani 1 1 d . . . . .
W2 W 0.32800(3) 0.12624(7) 0.88608(3) 0.0373(2) Uani 1 1 d . . . . .
W3 W 0.34275(3) 0.12614(7) 0.76581(3) 0.0380(2) Uani 1 1 d . . . . .
W4 W 0.11499(3) 0.11451(6) 0.86610(3) 0.0354(2) Uani 1 1 d . . . . .
W5 W 0.23877(3) 0.12567(7) 0.97596(3) 0.0370(2) Uani 1 1 d . . . . .
W6 W 0.21774(3) -0.00850(6) 0.87362(3) 0.0349(2) Uani 1 1 d . . . . .
W7 W 0.23004(3) -0.00966(6) 0.75389(3) 0.0378(2) Uani 1 1 d . . . . .
W8 W 0.12755(3) 0.11412(6) 0.74545(3) 0.0385(2) Uani 1 1 d . . . . .
W9 W 0.17550(5) 0.2500 0.65153(4) 0.0434(3) Uani 1 2 d S T P . .
Re1 Re 0.10554(3) 0.09693(8) 0.98711(3) 0.0506(3) Uani 1 1 d . . . . .
P1 P 0.2204(2) 0.2500 0.8798(2) 0.0196(13) Uani 1 2 d S T P . .
P2 P 0.2336(2) 0.2500 0.7509(2) 0.0192(13) Uani 1 2 d S T P . .
O1 O 0.3060(5) 0.0480(12) 0.6252(5) 0.056(4) Uiso 1 1 d . . . . .
O2 O 0.3734(5) 0.0493(12) 0.8980(5) 0.054(4) Uiso 1 1 d . . . . .
O3 O 0.3887(5) 0.0473(11) 0.7586(5) 0.053(4) Uiso 1 1 d . . . . .
O4 O 0.0583(5) 0.0686(11) 0.8685(5) 0.050(4) Uiso 1 1 d . . . . .
O5 O 0.1795(5) 0.1233(10) 0.9945(5) 0.046(4) Uiso 1 1 d . . . . .
O6 O 0.2258(5) -0.1307(12) 0.8821(5) 0.053(4) Uiso 1 1 d . . . . .
O7 O 0.2399(5) -0.1306(11) 0.7451(5) 0.053(4) Uiso 1 1 d . . . . .
O8 O 0.0728(6) 0.0714(12) 0.7306(5) 0.061(4) Uiso 1 1 d . . . . .
O9 O 0.1369(8) 0.2500 0.6095(7) 0.054(6) Uiso 1 2 d S T P . .
O10 O 0.3742(7) 0.2500 0.7573(7) 0.046(5) Uiso 1 2 d S T P . .
O11 O 0.2674(5) 0.0499(11) 1.0116(5) 0.048(4) Uiso 1 1 d . . . . .
O12 O 0.3238(4) 0.1343(10) 0.7037(4) 0.038(3) Uiso 1 1 d . . . . .
O13 O 0.2561(7) 0.2500 1.0005(6) 0.042(5) Uiso 1 2 d S T P . .
O14 O 0.3445(5) 0.1405(10) 0.8239(4) 0.041(3) Uiso 1 1 d . . . . .
O15 O 0.3597(7) 0.2500 0.8922(7) 0.046(5) Uiso 1 2 d S T P . .
O16 O 0.2451(5) 0.0367(10) 0.6970(4) 0.042(3) Uiso 1 1 d . . . . .
O17 O 0.1240(5) 0.0941(10) 0.8046(4) 0.038(3) Uiso 1 1 d . . . . .
O18 O 0.2205(5) 0.1529(11) 0.6319(4) 0.044(4) Uiso 1 1 d . . . . .
O19 O 0.1208(4) 0.1500(10) 0.9248(4) 0.035(3) Uiso 1 1 d . . . . .
O20 O 0.1501(5) -0.0044(10) 0.8749(4) 0.038(3) Uiso 1 1 d . . . . .
O21 O 0.1487(5) 0.1542(10) 0.6887(4) 0.041(3) Uiso 1 1 d . . . . .
O22 O 0.2809(4) 0.0392(9) 0.8662(4) 0.033(3) Uiso 1 1 d . . . . .
O23 O 0.2985(5) 0.1342(10) 0.9376(4) 0.038(3) Uiso 1 1 d . . . . .
O24 O 0.1050(6) 0.2500 0.8539(5) 0.028(4) Uiso 1 2 d S T P . .
O25 O 0.2997(7) 0.2500 0.6396(6) 0.040(5) Uiso 1 2 d S T P . .
O26 O 0.1643(4) -0.0032(10) 0.7386(4) 0.036(3) Uiso 1 1 d . . . . .
O27 O 0.1954(4) 0.1575(9) 0.8636(4) 0.027(3) Uiso 1 1 d . . . . .
O28 O 0.2226(4) 0.0376(10) 0.9314(4) 0.038(3) Uiso 1 1 d . . . . .
O29 O 0.2065(4) 0.1569(9) 0.7623(4) 0.028(3) Uiso 1 1 d . . . . .
O30 O 0.2909(4) 0.0375(10) 0.7693(4) 0.034(3) Uiso 1 1 d . . . . .
O31 O 0.2134(5) -0.0167(10) 0.8123(4) 0.040(3) Uiso 1 1 d . . . . .
O32 O 0.2843(6) 0.2500 0.7700(6) 0.031(4) Uiso 1 2 d S T P . .
O33 O 0.1148(6) 0.2500 0.7537(6) 0.033(4) Uiso 1 2 d S T P . .
O34 O 0.2730(6) 0.2500 0.8686(5) 0.026(4) Uiso 1 2 d S T P . .
O35 O 0.2400(6) 0.2500 0.7007(5) 0.026(4) Uiso 1 2 d S T P . .
O36 O 0.2158(6) 0.2500 0.9295(5) 0.025(4) Uiso 1 2 d S T P . .
O37 O 0.1058(9) 0.2500 1.0067(8) 0.069(7) Uiso 1 2 d S T P . .
O38 O 0.1049(9) -0.1186(19) 0.9587(8) 0.115(8) Uiso 1 1 d . . . . .
O39 O -0.0006(9) 0.0918(19) 0.9725(8) 0.114(8) Uiso 1 1 d . . . . .
O40 O 0.0900(8) 0.0147(18) 1.0767(8) 0.110(8) Uiso 1 1 d . . . . .
N1 N 0.1094(9) 0.7500 0.8150(9) 0.049(7) Uiso 1 2 d S T P . .
N2 N 0.2780(14) 0.2500 0.5107(12) 0.124(16) Uiso 1 2 d DS T P . .
N3 N 0.4890(16) 0.2500 0.8347(14) 0.17(2) Uiso 1 2 d DS T P . .
N4 N 0.9526(12) 0.2500 0.8540(11) 0.136(17) Uiso 1 2 d DS T P . .
N5 N 0.4014(12) 0.2500 0.0274(14) 0.136(17) Uiso 1 2 d DS T P . .
N6 N 0.3433(11) 0.7500 0.8280(10) 0.092(11) Uiso 1 2 d DS T P . .
C1 C 0.1059(12) -0.029(3) 0.9687(11) 0.094(10) Uiso 1 1 d . . . . .
C2 C 0.0438(12) 0.095(2) 0.9784(10) 0.087(9) Uiso 1 1 d . . . . .
C3 C 0.0969(11) 0.047(2) 1.0412(11) 0.089(9) Uiso 1 1 d . . . . .
C4 C 0.1097(19) 0.7500 0.8633(18) 0.114(18) Uiso 1 2 d S T P . .
C5 C 0.0848(11) 0.844(3) 0.8017(10) 0.090(10) Uiso 1 1 d . . . . .
C6 C 0.1618(17) 0.7500 0.8047(16) 0.096(15) Uiso 1 2 d S T P . .
C7 C 0.278(2) 0.2500 0.4634(13) 0.22(4) Uiso 1 2 d DS T P . .
C8 C 0.3080(18) 0.170(4) 0.5285(16) 0.24(3) Uiso 1 1 d D . . . .
C9 C 0.2299(16) 0.2500 0.5289(19) 0.19(3) Uiso 1 2 d DS T P . .
C10 C 0.5395(15) 0.2500 0.8474(16) 0.13(2) Uiso 1 2 d DS T P . .
C11 C 0.490(2) 0.2500 0.7873(14) 0.22(4) Uiso 1 2 d DS T P . .
C12 C 0.4712(18) 0.151(3) 0.8463(15) 0.200 Uiso 1 1 d D . . . .
C13 C 0.9857(14) 0.2500 0.8904(12) 0.097(15) Uiso 1 2 d DS T P . .
C14 C 0.9809(19) 0.2500 0.8138(12) 0.187 Uiso 1 2 d DS T P . .
C15 C 0.9233(12) 0.1612(9) 0.8551(14) 0.23(3) Uiso 1 1 d D . . . .
C16 C 0.4405(19) 0.2500 0.0584(18) 0.205 Uiso 1 2 d DS T P . .
C17 C 0.3565(17) 0.2500 0.051(2) 0.229 Uiso 1 2 d DS T P . .
C18 C 0.4039(15) 0.158(3) 0.0027(14) 0.163 Uiso 1 1 d D . . . .
C19 C 0.338(2) 0.7500 0.8755(10) 0.156 Uiso 1 2 d DS T P . .
C20 C 0.2948(14) 0.7500 0.8106(18) 0.195 Uiso 1 2 d DS T P . .
C21 C 0.3675(13) 0.8382(9) 0.8152(13) 0.212 Uiso 1 1 d D . . . .
O1W O 0.291(2) 0.7500 0.6295(19) 0.22(2) Uiso 1 2 d S T P . .
O2W O 0.1778(12) 0.010(3) 0.5807(12) 0.189(14) Uiso 1 1 d . . . . .
O3W O 0.026(2) 0.2500 0.053(2) 0.24(3) Uiso 1 2 d S T P . .
O4W O 0.143(2) 0.910(5) 0.656(2) 0.16(2) Uiso 0.5 1 d . . . . .
O5W O 0.004(2) 0.098(4) 0.1220(18) 0.14(2) Uiso 0.5 1 d . . . . .
O6W O 0.3429(18) 0.928(4) 0.9753(17) 0.127(17) Uiso 0.5 1 d . . . . .


_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 1.703(16) . ?
W1 O12 1.824(13) . ?
W1 O16 1.895(14) . ?
W1 O18 1.930(14) . ?
W1 O25 1.907(9) . ?
W1 O35 2.366(12) . ?
W2 O2 1.689(15) . ?
W2 O14 2.001(14) . ?
W2 O15 1.904(10) . ?
W2 O22 1.877(12) . ?
W2 O23 1.810(13) . ?
W2 O34 2.342(11) . ?
W3 O3 1.689(15) . ?
W3 O10 1.911(10) . ?
W3 O12 2.012(13) . ?
W3 O14 1.822(14) . ?
W3 O30 1.891(13) . ?
W3 O32 2.349(12) . ?
W4 O4 1.713(14) . ?
W4 O17 1.954(13) . ?
W4 O19 1.899(13) . ?
W4 O20 1.905(13) . ?
W4 O24 1.889(4) . ?
W4 O27 2.339(11) . ?
W5 O5 1.767(14) . ?
W5 O11 1.713(15) . ?
W5 O13 1.908(10) . ?
W5 O23 2.067(13) . ?
W5 O28 1.884(13) . ?
W5 O36 2.308(11) . ?
W6 O6 1.686(16) . ?
W6 O20 1.907(13) . ?
W6 O22 1.904(12) . ?
W6 O27 2.348(12) . ?
W6 O28 1.910(13) . ?
W6 O31 1.919(13) . ?
W7 O7 1.678(15) . ?
W7 O16 1.927(14) . ?
W7 O26 1.914(13) . ?
W7 O29 2.358(12) . ?
W7 O30 1.890(12) . ?
W7 O31 1.881(13) . ?
W8 O8 1.708(16) . ?
W8 O17 1.865(13) . ?
W8 O21 1.942(14) . ?
W8 O26 1.903(13) . ?
W8 O29 2.356(12) . ?
W8 O33 1.886(4) . ?
W9 O9 1.70(2) . ?
W9 O18 1.923(14) . ?
W9 O18 1.923(14) 7_565 ?
W9 O21 1.894(14) 7_565 ?
W9 O21 1.894(14) . ?
W9 O35 2.377(17) . ?
Re1 O5 2.124(14) . ?
Re1 O19 2.113(13) . ?
Re1 O37 2.155(7) . ?
Re1 C1 1.80(4) . ?
Re1 C2 1.76(3) . ?
Re1 C3 1.83(4) . ?
P1 O27 1.520(12) 7_565 ?
P1 O27 1.520(12) . ?
P1 O34 1.522(17) . ?
P1 O36 1.556(17) . ?
P2 O29 1.512(12) . ?
P2 O29 1.512(12) 7_565 ?
P2 O32 1.548(18) . ?
P2 O35 1.573(17) . ?
O10 W3 1.911(10) 7_565 ?
O13 W5 1.908(9) 7_565 ?
O15 W2 1.904(10) 7_565 ?
O24 W4 1.889(4) 7_565 ?
O25 W1 1.907(9) 7_565 ?
O32 W3 2.349(12) 7_565 ?
O33 W8 1.886(4) 7_565 ?
O34 W2 2.342(11) 7_565 ?
O35 W1 2.366(12) 7_565 ?
O36 W5 2.308(11) 7_565 ?
O37 Re1 2.155(7) 7_565 ?
O38 C1 1.25(4) . ?
O39 C2 1.26(3) . ?
O40 C3 1.20(3) . ?
N1 C4 1.51(6) . ?
N1 C5 1.50(3) 7_575 ?
N1 C5 1.50(3) . ?
N1 C6 1.51(5) . ?
N2 C7 1.47(2) . ?
N2 C8 1.479(19) . ?
N2 C8 1.479(19) 7_565 ?
N2 C9 1.47(2) . ?
N3 C10 1.48(2) . ?
N3 C11 1.48(2) . ?
N3 C12 1.466(19) . ?
N3 C12 1.466(19) 7_565 ?
N4 C13 1.468(19) . ?
N4 C14 1.48(2) . ?
N4 C15 1.455(19) 7_565 ?
N4 C15 1.455(19) . ?
N5 C16 1.47(2) . ?
N5 C17 1.47(2) . ?
N5 C18 1.465(19) 7_565 ?
N5 C18 1.465(19) . ?
N6 C19 1.485(19) . ?
N6 C20 1.469(19) . ?
N6 C21 1.429(19) . ?
N6 C21 1.429(19) 7_575 ?

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
O1 W1 O12 102.6(7) . . ?
O1 W1 O16 103.3(7) . . ?
O1 W1 O18 100.6(7) . . ?
O1 W1 O25 100.0(7) . . ?
O1 W1 O35 169.9(6) . . ?
O12 W1 O16 88.1(6) . . ?
O12 W1 O18 156.7(6) . . ?
O12 W1 O25 89.3(7) . . ?
O12 W1 O35 83.9(6) . . ?
O16 W1 O18 87.9(6) . . ?
O16 W1 O25 156.6(7) . . ?
O16 W1 O35 84.5(5) . . ?
O18 W1 O35 72.8(6) . . ?
O25 W1 O18 85.3(7) . . ?
O25 W1 O35 72.1(6) . . ?
O2 W2 O14 95.5(7) . . ?
O2 W2 O15 99.4(7) . . ?
O2 W2 O22 102.8(7) . . ?
O2 W2 O23 100.9(7) . . ?
O2 W2 O34 172.1(6) . . ?
O14 W2 O34 81.9(6) . . ?
O15 W2 O14 84.5(7) . . ?
O15 W2 O34 73.0(6) . . ?
O22 W2 O14 84.5(5) . . ?
O22 W2 O15 156.0(7) . . ?
O22 W2 O34 84.4(5) . . ?
O23 W2 O14 163.5(6) . . ?
O23 W2 O15 94.3(7) . . ?
O23 W2 O22 90.3(6) . . ?
O23 W2 O34 82.0(6) . . ?
O3 W3 O10 100.2(7) . . ?
O3 W3 O12 96.2(6) . . ?
O3 W3 O14 100.4(7) . . ?
O3 W3 O30 101.5(6) . . ?
O3 W3 O32 172.5(6) . . ?
O10 W3 O12 86.7(7) . . ?
O10 W3 O32 73.1(6) . . ?
O12 W3 O32 80.1(6) . . ?
O14 W3 O10 91.9(8) . . ?
O14 W3 O12 163.3(6) . . ?
O14 W3 O30 91.7(6) . . ?
O14 W3 O32 83.5(6) . . ?
O30 W3 O10 156.9(7) . . ?
O30 W3 O12 83.4(5) . . ?
O30 W3 O32 84.7(5) . . ?
O4 W4 O17 96.5(6) . . ?
O4 W4 O19 97.4(6) . . ?
O4 W4 O20 99.9(6) . . ?
O4 W4 O24 102.8(7) . . ?
O4 W4 O27 173.1(6) . . ?
O17 W4 O27 82.9(5) . . ?
O19 W4 O17 166.0(5) . . ?
O19 W4 O20 91.7(6) . . ?
O19 W4 O27 83.5(5) . . ?
O20 W4 O17 87.4(6) . . ?
O20 W4 O27 73.3(5) . . ?
O24 W4 O17 87.6(6) . . ?
O24 W4 O19 87.8(6) . . ?
O24 W4 O20 157.2(6) . . ?
O24 W4 O27 84.1(6) . . ?
O5 W5 O13 97.2(7) . . ?
O5 W5 O23 163.6(6) . . ?
O5 W5 O28 90.1(6) . . ?
O5 W5 O36 87.3(6) . . ?
O11 W5 O5 102.8(7) . . ?
O11 W5 O13 98.3(7) . . ?
O11 W5 O23 91.5(6) . . ?
O11 W5 O28 102.4(6) . . ?
O11 W5 O36 166.6(6) . . ?
O13 W5 O23 88.6(7) . . ?
O13 W5 O36 71.5(6) . . ?
O23 W5 O36 79.9(5) . . ?
O28 W5 O13 155.9(7) . . ?
O28 W5 O23 78.8(5) . . ?
O28 W5 O36 86.0(5) . . ?
O6 W6 O20 99.2(6) . . ?
O6 W6 O22 103.0(6) . . ?
O6 W6 O27 172.1(6) . . ?
O6 W6 O28 99.2(7) . . ?
O6 W6 O31 96.2(7) . . ?
O20 W6 O27 73.0(5) . . ?
O20 W6 O28 92.5(6) . . ?
O20 W6 O31 87.7(6) . . ?
O22 W6 O20 157.7(6) . . ?
O22 W6 O27 84.9(5) . . ?
O22 W6 O28 86.4(5) . . ?
O22 W6 O31 87.6(5) . . ?
O28 W6 O27 80.4(5) . . ?
O28 W6 O31 164.3(6) . . ?
O31 W6 O27 84.6(5) . . ?
O7 W7 O16 97.5(7) . . ?
O7 W7 O26 99.4(7) . . ?
O7 W7 O29 172.7(6) . . ?
O7 W7 O30 102.7(7) . . ?
O7 W7 O31 98.5(7) . . ?
O16 W7 O29 81.6(5) . . ?
O26 W7 O16 88.2(6) . . ?
O26 W7 O29 73.3(5) . . ?
O30 W7 O16 85.7(6) . . ?
O30 W7 O26 157.7(6) . . ?
O30 W7 O29 84.6(5) . . ?
O31 W7 O16 163.9(6) . . ?
O31 W7 O26 90.1(6) . . ?
O31 W7 O29 82.6(5) . . ?
O31 W7 O30 89.8(6) . . ?
O8 W8 O17 99.8(7) . . ?
O8 W8 O21 97.2(7) . . ?
O8 W8 O26 100.3(7) . . ?
O8 W8 O29 173.5(6) . . ?
O8 W8 O33 101.1(8) . . ?
O17 W8 O21 162.9(6) . . ?
O17 W8 O26 91.0(6) . . ?
O17 W8 O29 82.3(5) . . ?
O17 W8 O33 89.8(7) . . ?
O21 W8 O29 81.1(5) . . ?
O26 W8 O21 87.9(6) . . ?
O26 W8 O29 73.5(5) . . ?
O33 W8 O21 84.9(7) . . ?
O33 W8 O26 158.1(6) . . ?
O33 W8 O29 84.9(6) . . ?
O9 W9 O18 100.2(7) . . ?
O9 W9 O18 100.2(7) . 7_565 ?
O9 W9 O21 102.5(7) . 7_565 ?
O9 W9 O21 102.5(7) . . ?
O9 W9 O35 169.9(8) . . ?
O18 W9 O18 86.0(8) . 7_565 ?
O18 W9 O35 72.7(5) 7_565 . ?
O18 W9 O35 72.7(5) . . ?
O21 W9 O18 157.3(6) 7_565 . ?
O21 W9 O18 157.3(6) . 7_565 ?
O21 W9 O18 89.5(6) 7_565 7_565 ?
O21 W9 O18 89.5(6) . . ?
O21 W9 O21 86.1(8) 7_565 . ?
O21 W9 O35 84.8(5) . . ?
O21 W9 O35 84.8(5) 7_565 . ?
O5 Re1 O37 78.8(8) . . ?
O19 Re1 O5 81.0(5) . . ?
O19 Re1 O37 86.3(7) . . ?
C1 Re1 O5 100.8(11) . . ?
C1 Re1 O19 91.5(11) . . ?
C1 Re1 O37 177.7(13) . . ?
C1 Re1 C3 86.8(15) . . ?
C2 Re1 O5 170.9(11) . . ?
C2 Re1 O19 93.7(11) . . ?
C2 Re1 O37 93.5(13) . . ?
C2 Re1 C1 86.7(15) . . ?
C2 Re1 C3 90.3(14) . . ?
C3 Re1 O5 95.3(11) . . ?
C3 Re1 O19 175.6(11) . . ?
C3 Re1 O37 95.4(12) . . ?
O27 P1 O27 110.5(10) . 7_565 ?
O27 P1 O34 112.0(6) . . ?
O27 P1 O34 112.0(6) 7_565 . ?
O27 P1 O36 107.0(6) . . ?
O27 P1 O36 107.0(6) 7_565 . ?
O34 P1 O36 108.1(9) . . ?
O29 P2 O29 112.5(10) . 7_565 ?
O29 P2 O32 112.0(6) 7_565 . ?
O29 P2 O32 112.0(6) . . ?
O29 P2 O35 106.9(6) . . ?
O29 P2 O35 106.9(6) 7_565 . ?
O32 P2 O35 106.1(10) . . ?
W5 O5 Re1 153.3(8) . . ?
W3 O10 W3 122.1(11) . 7_565 ?
W1 O12 W3 151.1(7) . . ?
W5 O13 W5 123.2(10) 7_565 . ?
W3 O14 W2 161.1(8) . . ?
W2 O15 W2 122.7(11) . 7_565 ?
W1 O16 W7 149.0(8) . . ?
W8 O17 W4 162.9(8) . . ?
W9 O18 W1 123.3(7) . . ?
W4 O19 Re1 141.5(7) . . ?
W4 O20 W6 122.6(7) . . ?
W9 O21 W8 150.4(8) . . ?
W2 O22 W6 146.2(7) . . ?
W2 O23 W5 152.0(7) . . ?
W4 O24 W4 151.1(10) 7_565 . ?
W1 O25 W1 124.7(10) . 7_565 ?
W8 O26 W7 122.4(7) . . ?
W4 O27 W6 91.0(4) . . ?
P1 O27 W4 129.9(7) . . ?
P1 O27 W6 128.0(7) . . ?
W5 O28 W6 156.6(8) . . ?
W8 O29 W7 90.4(4) . . ?
P2 O29 W7 128.7(7) . . ?
P2 O29 W8 128.8(7) . . ?
W7 O30 W3 153.9(8) . . ?
W7 O31 W6 160.9(8) . . ?
W3 O32 W3 90.8(6) . 7_565 ?
P2 O32 W3 128.7(5) . 7_565 ?
P2 O32 W3 128.7(5) . . ?
W8 O33 W8 153.0(10) 7_565 . ?
W2 O34 W2 91.0(6) . 7_565 ?
P1 O34 W2 126.1(5) . 7_565 ?
P1 O34 W2 126.1(5) . . ?
W1 O35 W1 91.1(6) . 7_565 ?
W1 O35 W9 91.3(5) . . ?
W1 O35 W9 91.3(5) 7_565 . ?
P2 O35 W1 124.8(5) . . ?
P2 O35 W1 124.8(5) . 7_565 ?
P2 O35 W9 123.6(9) . . ?
W5 O36 W5 93.3(6) 7_565 . ?
P1 O36 W5 127.0(5) . . ?
P1 O36 W5 127.0(5) . 7_565 ?
Re1 O37 Re1 147.1(13) 7_565 . ?
C4 N1 C6 102(3) . . ?
C5 N1 C4 106(2) 7_575 . ?
C5 N1 C4 106(2) . . ?
C5 N1 C5 115(3) . 7_575 ?
C5 N1 C6 113.1(18) 7_575 . ?
C5 N1 C6 113.1(19) . . ?
C7 N2 C8 112.1(15) . . ?
C7 N2 C8 112.1(15) . 7_565 ?
C8 N2 C8 94(6) . 7_565 ?
C9 N2 C7 112.7(18) . . ?
C9 N2 C8 112.4(15) . . ?
C9 N2 C8 112.4(15) . 7_565 ?
C10 N3 C11 104(2) . . ?
C12 N3 C10 105.3(19) . . ?
C12 N3 C10 105.3(19) 7_565 . ?
C12 N3 C11 104.6(19) 7_565 . ?
C12 N3 C11 104.6(19) . . ?
C12 N3 C12 130(7) . 7_565 ?
C13 N4 C14 108.1(15) . . ?
C15 N4 C13 109.9(9) 7_565 . ?
C15 N4 C13 109.9(9) . . ?
C15 N4 C14 108.9(9) 7_565 . ?
C15 N4 C14 108.9(9) . . ?
C15 N4 C15 110.9(16) . 7_565 ?
C16 N5 C17 108.2(19) . . ?
C18 N5 C16 108.1(15) 7_565 . ?
C18 N5 C16 108.1(15) . . ?
C18 N5 C17 108.0(15) . . ?
C18 N5 C17 108.0(15) 7_565 . ?
C18 N5 C18 116(5) . 7_565 ?
C20 N6 C19 106.2(15) . . ?
C21 N6 C19 108.9(9) 7_575 . ?
C21 N6 C19 108.9(9) . . ?
C21 N6 C20 109.9(9) . . ?
C21 N6 C20 109.9(9) 7_575 . ?
C21 N6 C21 112.8(16) . 7_575 ?
O38 C1 Re1 175(3) . . ?
O39 C2 Re1 179(3) . . ?
O40 C3 Re1 178(3) . . ?

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