# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1446505'
_audit_update_record             
;
2016-01-09 deposited with the CCDC.
2016-02-26 downloaded from the CCDC.
;
_audit_creation_date             2016-01-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C12 K O35 Re4 W5, 3(O), 3(C4 H12 N)'
_chemical_formula_sum            'C24 H48 B0 K N3 O38 Re4 W5'
_chemical_formula_weight         2689.80
_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'
B B 0.0013 0.0007 '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'
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'
K K 0.2009 0.2494 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.8745(8)
_cell_length_b                   19.1737(11)
_cell_length_c                   22.0448(13)
_cell_angle_alpha                90
_cell_angle_beta                 105.3700(10)
_cell_angle_gamma                90
_cell_volume                     5654.7(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9288
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.02
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.153
_shelx_estimated_absorpt_T_min   0.117
_exptl_absorpt_coefficient_mu    18.820
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.2988
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1377 before and 0.0572 after correction.
The Ratio of minimum to maximum transmission is 0.4007.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.159
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4824
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0556
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            28702
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.856
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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                8190
_reflns_number_total             9944
_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       '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)'
_refine_diff_density_max         1.337
_refine_diff_density_min         -1.693
_refine_diff_density_rms         0.276
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         9944
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0324
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0280P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0740
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C22) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Me refined with riding coordinates:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,
 H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C),
 C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.56829(2) 0.14060(2) 1.25247(2) 0.01953(10) Uani 1 1 d . . . . .
W2 W 0.43614(3) 0.28030(2) 1.17199(2) 0.01821(9) Uani 1 1 d . . . . .
W3 W 0.35008(3) 0.05828(2) 1.22778(2) 0.02008(10) Uani 1 1 d . . . . .
W4 W 0.37467(3) 0.21172(2) 1.29388(2) 0.01825(9) Uani 1 1 d . . . . .
W5 W 0.41211(3) 0.12218(2) 1.10498(2) 0.01904(9) Uani 1 1 d . . . . .
Re1 Re 0.10529(3) 0.25883(2) 1.20193(2) 0.02155(10) Uani 1 1 d . . . . .
Re2 Re 0.08024(3) 0.09847(2) 1.13083(2) 0.02156(10) Uani 1 1 d . . . . .
Re3 Re 0.19277(3) 0.24380(2) 1.05071(2) 0.02023(10) Uani 1 1 d . . . . .
Re4 Re 0.62605(3) 0.20797(2) 1.13459(2) 0.02395(10) Uani 1 1 d . . . . .
K1 K 0.5093(2) 0.49320(16) 1.11648(15) 0.0666(9) Uani 1 1 d . . . . .
O1W O 0.4068(7) 0.6259(5) 1.0638(4) 0.076(3) Uani 1 1 d . . . . .
O2W O 0.3008(7) 0.4474(5) 1.0757(5) 0.083(3) Uani 1 1 d . . . . .
O3W O 0.3952(10) 0.4488(8) 0.9772(6) 0.138(5) Uani 1 1 d . . . . .
O4W O 0.4667(6) 0.1973(5) 0.4938(4) 0.069(3) Uani 1 1 d . . . . .
O5W O 0.8205(7) 0.0563(6) 0.3936(4) 0.083(3) Uani 1 1 d . . . . .
O6W O 0.7970(9) 0.3640(7) 0.9868(6) 0.123(5) Uani 1 1 d . . . . .
O1 O 0.6513(6) 0.1613(5) 1.0070(4) 0.062(3) Uani 1 1 d . . . . .
O2 O 0.6900(6) 0.3547(5) 1.1061(5) 0.064(3) Uani 1 1 d . . . . .
O3 O 0.8438(5) 0.1694(5) 1.1965(4) 0.060(3) Uani 1 1 d . . . . .
O4 O 0.2442(7) 0.3020(6) 0.9354(4) 0.081(3) Uani 1 1 d . . . . .
O5 O 0.0268(6) 0.1747(5) 0.9499(4) 0.058(2) Uani 1 1 d . . . . .
O6 O 0.0537(6) 0.3695(5) 1.0337(4) 0.062(3) Uani 1 1 d . . . . .
O7 O 0.1262(6) 0.0285(5) 1.0171(4) 0.056(2) Uani 1 1 d . . . . .
O8 O -0.0296(7) -0.0333(5) 1.1482(5) 0.071(3) Uani 1 1 d . . . . .
O9 O -0.1193(6) 0.1461(5) 1.0446(4) 0.067(3) Uani 1 1 d . . . . .
O10 O 0.1841(6) 0.4022(4) 1.1785(4) 0.052(2) Uani 1 1 d . . . . .
O11 O -0.0950(5) 0.3026(5) 1.1138(4) 0.065(3) Uani 1 1 d . . . . .
O12 O 0.0293(7) 0.3181(5) 1.3080(4) 0.073(3) Uani 1 1 d . . . . .
O13 O 0.5728(4) 0.2344(3) 1.2144(3) 0.0219(15) Uani 1 1 d . . . . .
O14 O 0.5258(4) 0.1861(3) 1.3146(3) 0.0235(15) Uani 1 1 d . . . . .
O15 O 0.6931(4) 0.1258(4) 1.2873(3) 0.0309(17) Uani 1 1 d . . . . .
O16 O 0.5050(4) 0.0592(3) 1.2608(3) 0.0249(15) Uani 1 1 d . . . . .
O17 O 0.5551(4) 0.1164(3) 1.1624(3) 0.0220(15) Uani 1 1 d . . . . .
O18 O 0.3997(4) 0.1664(3) 1.2013(3) 0.0196(14) Uani 1 1 d . . . . .
O19 O 0.4852(5) 0.3578(3) 1.1584(3) 0.0307(16) Uani 1 1 d . . . . .
O20 O 0.3107(4) 0.2859(3) 1.1242(3) 0.0212(14) Uani 1 1 d . . . . .
O21 O 0.4163(4) 0.2911(3) 1.2526(3) 0.0231(15) Uani 1 1 d . . . . .
O22 O 0.4661(4) 0.2203(3) 1.1032(3) 0.0192(14) Uani 1 1 d . . . . .
O23 O 0.3456(5) -0.0236(3) 1.2572(3) 0.0346(17) Uani 1 1 d . . . . .
O24 O 0.3794(4) 0.0447(3) 1.1470(3) 0.0222(14) Uani 1 1 d . . . . .
O25 O 0.3602(4) 0.1124(3) 1.3025(3) 0.0198(14) Uani 1 1 d . . . . .
O26 O 0.2221(4) 0.0762(3) 1.1916(3) 0.0242(15) Uani 1 1 d . . . . .
O27 O 0.4456(5) 0.0848(4) 1.0423(3) 0.0366(18) Uani 1 1 d . . . . .
O28 O 0.3898(5) 0.2435(4) 1.3683(3) 0.0323(17) Uani 1 1 d . . . . .
O29 O 0.2460(4) 0.2264(3) 1.2572(3) 0.0226(15) Uani 1 1 d . . . . .
O30 O 0.2910(4) 0.1572(3) 1.0689(3) 0.0215(14) Uani 1 1 d . . . . .
O31 O 0.1609(4) 0.1979(3) 1.1346(3) 0.0201(14) Uani 1 1 d . . . . .
O32 O 0.0621(4) 0.1532(3) 1.2121(3) 0.0238(15) Uani 1 1 d . . . . .
C1 C 0.6446(8) 0.1780(7) 1.0562(6) 0.044(3) Uani 1 1 d . . . . .
C2 C 0.6678(7) 0.2983(7) 1.1168(5) 0.038(3) Uani 1 1 d . . . . .
C3 C 0.7619(8) 0.1850(6) 1.1723(5) 0.040(3) Uani 1 1 d . . . . .
C4 C 0.2304(8) 0.2806(7) 0.9815(5) 0.043(3) Uani 1 1 d . . . . .
C5 C 0.0888(7) 0.1998(6) 0.9883(5) 0.030(3) Uani 1 1 d . . . . .
C6 C 0.1042(7) 0.3214(6) 1.0411(5) 0.031(2) Uani 1 1 d . . . . .
C7 C 0.1093(8) 0.0543(6) 1.0599(5) 0.034(3) Uani 1 1 d . . . . .
C8 C 0.0132(7) 0.0168(6) 1.1421(5) 0.038(3) Uani 1 1 d . . . . .
C9 C -0.0428(8) 0.1284(6) 1.0766(5) 0.035(3) Uani 1 1 d . . . . .
C10 C 0.1556(7) 0.3483(6) 1.1874(5) 0.033(3) Uani 1 1 d . . . . .
C11 C -0.0190(8) 0.2849(6) 1.1470(5) 0.036(3) Uani 1 1 d . . . . .
C12 C 0.0570(7) 0.2948(6) 1.2679(5) 0.041(3) Uani 1 1 d . . . . .
C13 C 0.3609(7) 0.8455(6) 0.1571(5) 0.046(3) Uani 1 1 d . . . . .
H13A H 0.3947 0.8054 0.1788 0.068 Uiso 1 1 calc R . . . .
H13B H 0.3782 0.8512 0.1181 0.068 Uiso 1 1 calc R . . . .
H13C H 0.3806 0.8862 0.1827 0.068 Uiso 1 1 calc R . . . .
C14 C 0.2217(10) 0.7715(6) 0.1052(7) 0.064(4) Uani 1 1 d . . . . .
H14A H 0.1507 0.7652 0.0970 0.096 Uiso 1 1 calc R . . . .
H14B H 0.2390 0.7766 0.0660 0.096 Uiso 1 1 calc R . . . .
H14C H 0.2554 0.7315 0.1272 0.096 Uiso 1 1 calc R . . . .
C15 C 0.2288(9) 0.8254(8) 0.2060(7) 0.065(4) Uani 1 1 d . . . . .
H15A H 0.1581 0.8188 0.1989 0.098 Uiso 1 1 calc R . . . .
H15B H 0.2634 0.7850 0.2266 0.098 Uiso 1 1 calc R . . . .
H15C H 0.2495 0.8656 0.2321 0.098 Uiso 1 1 calc R . . . .
C16 C 0.1997(9) 0.8976(6) 0.1110(6) 0.066(4) Uani 1 1 d . . . . .
H16A H 0.1288 0.8909 0.1029 0.099 Uiso 1 1 calc R . . . .
H16B H 0.2191 0.9384 0.1365 0.099 Uiso 1 1 calc R . . . .
H16C H 0.2168 0.9034 0.0719 0.099 Uiso 1 1 calc R . . . .
C17 C 0.4335(8) 0.0763(7) 0.8936(6) 0.056(4) Uani 1 1 d . . . . .
H17A H 0.4389 0.1177 0.8702 0.084 Uiso 1 1 calc R . . . .
H17B H 0.4620 0.0848 0.9376 0.084 Uiso 1 1 calc R . . . .
H17C H 0.4687 0.0388 0.8801 0.084 Uiso 1 1 calc R . . . .
C18 C 0.2698(9) 0.1156(7) 0.9031(7) 0.060(4) Uani 1 1 d . . . . .
H18A H 0.2755 0.1569 0.8798 0.090 Uiso 1 1 calc R . . . .
H18B H 0.2006 0.1031 0.8956 0.090 Uiso 1 1 calc R . . . .
H18C H 0.2976 0.1241 0.9472 0.090 Uiso 1 1 calc R . . . .
C19 C 0.3169(9) -0.0059(6) 0.9181(6) 0.056(4) Uani 1 1 d . . . . .
H19A H 0.3470 0.0021 0.9620 0.085 Uiso 1 1 calc R . . . .
H19B H 0.2476 -0.0173 0.9118 0.085 Uiso 1 1 calc R . . . .
H19C H 0.3503 -0.0438 0.9037 0.085 Uiso 1 1 calc R . . . .
C20 C 0.2782(14) 0.0432(11) 0.8144(6) 0.120(8) Uani 1 1 d . . . . .
H20A H 0.2832 0.0841 0.7903 0.180 Uiso 1 1 calc R . . . .
H20B H 0.3118 0.0051 0.8005 0.180 Uiso 1 1 calc R . . . .
H20C H 0.2090 0.0316 0.8086 0.180 Uiso 1 1 calc R . . . .
C21 C 0.1787(13) 0.0394(14) 0.3420(11) 0.163(11) Uani 1 1 d . . . . .
H21A H 0.2288 0.0554 0.3782 0.244 Uiso 1 1 calc R . . . .
H21B H 0.1979 -0.0051 0.3291 0.244 Uiso 1 1 calc R . . . .
H21C H 0.1720 0.0724 0.3083 0.244 Uiso 1 1 calc R . . . .
C22 C -0.0033(17) 0.0085(14) 0.3069(11) 0.169(10) Uani 1 1 d . U . . .
H22A H -0.0618 0.0061 0.3223 0.253 Uiso 1 1 calc R . . . .
H22B H -0.0149 0.0406 0.2723 0.253 Uiso 1 1 calc R . . . .
H22C H 0.0110 -0.0368 0.2931 0.253 Uiso 1 1 calc R . . . .
C23 C 0.0824(19) -0.0048(12) 0.4168(9) 0.155(10) Uani 1 1 d . . . . .
H23A H 0.0158 -0.0056 0.4218 0.233 Uiso 1 1 calc R . . . .
H23B H 0.1053 -0.0518 0.4146 0.233 Uiso 1 1 calc R . . . .
H23C H 0.1260 0.0186 0.4520 0.233 Uiso 1 1 calc R . . . .
C24 C 0.0444(19) 0.1070(12) 0.3622(10) 0.148(9) Uani 1 1 d . . . . .
H24A H -0.0185 0.1052 0.3725 0.222 Uiso 1 1 calc R . . . .
H24B H 0.0919 0.1322 0.3943 0.222 Uiso 1 1 calc R . . . .
H24C H 0.0360 0.1301 0.3225 0.222 Uiso 1 1 calc R . . . .
N1 N 0.2528(6) 0.8357(5) 0.1446(4) 0.036(2) Uani 1 1 d . . . . .
N2 N 0.3256(6) 0.0570(5) 0.8825(4) 0.040(2) Uani 1 1 d . . . . .
N3 N 0.0825(10) 0.0328(8) 0.3579(6) 0.079(4) Uani 1 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 Re4 3.1885(6) . ?
W1 O13 1.993(6) . ?
W1 O14 1.848(6) . ?
W1 O15 1.721(6) . ?
W1 O16 1.824(6) . ?
W1 O17 2.001(6) . ?
W1 O18 2.365(5) . ?
W2 O13 2.074(6) . ?
W2 O18 2.370(6) . ?
W2 O19 1.694(7) . ?
W2 O20 1.783(5) . ?
W2 O21 1.881(6) . ?
W2 O22 2.032(6) . ?
W3 K1 3.688(3) 2_647 ?
W3 O16 2.078(6) . ?
W3 O18 2.308(6) . ?
W3 O23 1.705(7) . ?
W3 O24 1.948(6) . ?
W3 O25 1.919(6) . ?
W3 O26 1.776(6) . ?
W4 O14 2.082(6) . ?
W4 O18 2.327(6) . ?
W4 O21 1.938(6) . ?
W4 O25 1.930(6) . ?
W4 O28 1.709(7) . ?
W4 O29 1.777(6) . ?
W5 O17 2.054(6) . ?
W5 O18 2.335(6) . ?
W5 O22 2.029(6) . ?
W5 O24 1.869(6) . ?
W5 O27 1.726(6) . ?
W5 O30 1.788(6) . ?
Re1 O29 2.102(6) . ?
Re1 O31 2.185(6) . ?
Re1 O32 2.140(6) . ?
Re1 C10 1.911(13) . ?
Re1 C11 1.893(11) . ?
Re1 C12 1.885(11) . ?
Re2 O26 2.111(6) . ?
Re2 O31 2.202(6) . ?
Re2 O32 2.149(6) . ?
Re2 C7 1.913(11) . ?
Re2 C8 1.871(12) . ?
Re2 C9 1.896(11) . ?
Re3 O20 2.133(6) . ?
Re3 O30 2.118(6) . ?
Re3 O31 2.195(6) . ?
Re3 C4 1.876(11) . ?
Re3 C5 1.906(11) . ?
Re3 C6 1.906(11) . ?
Re4 O13 2.141(6) . ?
Re4 O17 2.179(6) . ?
Re4 O22 2.155(5) . ?
Re4 C1 1.903(12) . ?
Re4 C2 1.899(13) . ?
Re4 C3 1.899(11) . ?
K1 W3 3.688(3) 2_657 ?
K1 O1W 2.995(11) . ?
K1 O2W 2.927(10) . ?
K1 O3W 2.951(14) 3_667 ?
K1 O3W 3.174(13) . ?
K1 O16 3.040(7) 2_657 ?
K1 O19 2.806(7) . ?
K1 O23 2.990(7) 2_657 ?
K1 O25 3.159(6) 2_657 ?
O3W K1 2.951(14) 3_667 ?
O1 C1 1.157(13) . ?
O2 C2 1.165(13) . ?
O3 C3 1.160(12) . ?
O4 C4 1.158(13) . ?
O5 C5 1.142(11) . ?
O6 C6 1.142(12) . ?
O7 C7 1.143(12) . ?
O8 C8 1.156(13) . ?
O9 C9 1.158(11) . ?
O10 C10 1.142(13) . ?
O11 C11 1.164(11) . ?
O12 C12 1.145(12) . ?
O16 K1 3.040(7) 2_647 ?
O23 K1 2.990(7) 2_647 ?
O25 K1 3.159(6) 2_647 ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C13 N1 1.464(13) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 N1 1.503(14) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C15 N1 1.490(15) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 N1 1.486(13) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 N2 1.498(14) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18 N2 1.501(14) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C19 N2 1.461(14) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C20 N2 1.495(15) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 N3 1.471(19) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C22 N3 1.48(2) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C23 N3 1.486(19) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C24 N3 1.53(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
O13 W1 Re4 41.25(18) . . ?
O13 W1 O17 78.2(3) . . ?
O13 W1 O18 75.4(2) . . ?
O14 W1 Re4 127.7(2) . . ?
O14 W1 O13 86.5(3) . . ?
O14 W1 O17 151.9(2) . . ?
O14 W1 O18 77.6(2) . . ?
O15 W1 Re4 89.4(2) . . ?
O15 W1 O13 101.3(3) . . ?
O15 W1 O14 103.2(3) . . ?
O15 W1 O16 105.6(3) . . ?
O15 W1 O17 102.8(3) . . ?
O15 W1 O18 176.6(3) . . ?
O16 W1 Re4 131.34(19) . . ?
O16 W1 O13 152.2(2) . . ?
O16 W1 O14 94.2(3) . . ?
O16 W1 O17 89.0(3) . . ?
O16 W1 O18 77.6(2) . . ?
O17 W1 Re4 42.39(19) . . ?
O17 W1 O18 75.9(2) . . ?
O18 W1 Re4 87.54(14) . . ?
O13 W2 O18 73.9(2) . . ?
O19 W2 O13 95.1(3) . . ?
O19 W2 O18 168.9(3) . . ?
O19 W2 O20 102.6(3) . . ?
O19 W2 O21 103.7(3) . . ?
O19 W2 O22 101.1(3) . . ?
O20 W2 O13 157.6(3) . . ?
O20 W2 O18 88.3(2) . . ?
O20 W2 O21 100.8(3) . . ?
O20 W2 O22 87.4(3) . . ?
O21 W2 O13 88.1(2) . . ?
O21 W2 O18 75.4(2) . . ?
O21 W2 O22 151.3(3) . . ?
O22 W2 O13 75.6(2) . . ?
O22 W2 O18 77.4(2) . . ?
O16 W3 K1 55.53(18) . 2_647 ?
O16 W3 O18 74.4(2) . . ?
O18 W3 K1 114.82(14) . 2_647 ?
O23 W3 K1 53.0(2) . 2_647 ?
O23 W3 O16 90.7(3) . . ?
O23 W3 O18 165.1(3) . . ?
O23 W3 O24 105.2(3) . . ?
O23 W3 O25 100.0(3) . . ?
O23 W3 O26 102.4(3) . . ?
O24 W3 K1 128.25(17) . 2_647 ?
O24 W3 O16 82.8(2) . . ?
O24 W3 O18 75.0(2) . . ?
O25 W3 K1 58.93(18) . 2_647 ?
O25 W3 O16 82.0(2) . . ?
O25 W3 O18 76.8(2) . . ?
O25 W3 O24 150.6(3) . . ?
O26 W3 K1 134.6(2) . 2_647 ?
O26 W3 O16 166.8(3) . . ?
O26 W3 O18 92.5(2) . . ?
O26 W3 O24 92.4(3) . . ?
O26 W3 O25 96.8(3) . . ?
O14 W4 O18 74.3(2) . . ?
O21 W4 O14 83.1(2) . . ?
O21 W4 O18 75.5(2) . . ?
O25 W4 O14 82.6(2) . . ?
O25 W4 O18 76.2(2) . . ?
O25 W4 O21 150.8(3) . . ?
O28 W4 O14 90.7(3) . . ?
O28 W4 O18 164.9(2) . . ?
O28 W4 O21 101.2(3) . . ?
O28 W4 O25 104.3(3) . . ?
O28 W4 O29 103.5(3) . . ?
O29 W4 O14 165.7(3) . . ?
O29 W4 O18 91.4(2) . . ?
O29 W4 O21 92.9(3) . . ?
O29 W4 O25 94.7(3) . . ?
O17 W5 O18 75.6(2) . . ?
O22 W5 O17 76.1(2) . . ?
O22 W5 O18 78.3(2) . . ?
O24 W5 O17 88.5(2) . . ?
O24 W5 O18 75.7(2) . . ?
O24 W5 O22 152.4(2) . . ?
O27 W5 O17 92.8(3) . . ?
O27 W5 O18 168.3(3) . . ?
O27 W5 O22 101.0(3) . . ?
O27 W5 O24 102.6(3) . . ?
O27 W5 O30 102.7(3) . . ?
O30 W5 O17 159.1(3) . . ?
O30 W5 O18 88.9(2) . . ?
O30 W5 O22 87.2(3) . . ?
O30 W5 O24 101.3(3) . . ?
O29 Re1 O31 78.1(2) . . ?
O29 Re1 O32 84.4(2) . . ?
O32 Re1 O31 74.0(2) . . ?
C10 Re1 O29 92.2(3) . . ?
C10 Re1 O31 98.9(3) . . ?
C10 Re1 O32 172.6(3) . . ?
C11 Re1 O29 175.7(4) . . ?
C11 Re1 O31 97.6(4) . . ?
C11 Re1 O32 94.8(4) . . ?
C11 Re1 C10 88.1(4) . . ?
C12 Re1 O29 97.3(4) . . ?
C12 Re1 O31 169.0(4) . . ?
C12 Re1 O32 95.7(4) . . ?
C12 Re1 C10 91.2(5) . . ?
C12 Re1 C11 87.0(5) . . ?
O26 Re2 O31 76.8(2) . . ?
O26 Re2 O32 82.3(2) . . ?
O32 Re2 O31 73.5(2) . . ?
C7 Re2 O26 93.8(3) . . ?
C7 Re2 O31 101.5(4) . . ?
C7 Re2 O32 174.2(4) . . ?
C8 Re2 O26 99.2(4) . . ?
C8 Re2 O31 170.3(4) . . ?
C8 Re2 O32 97.2(4) . . ?
C8 Re2 C7 87.6(5) . . ?
C8 Re2 C9 86.6(5) . . ?
C9 Re2 O26 174.0(4) . . ?
C9 Re2 O31 97.2(4) . . ?
C9 Re2 O32 95.3(3) . . ?
C9 Re2 C7 88.2(4) . . ?
O20 Re3 O31 78.3(2) . . ?
O30 Re3 O20 80.1(2) . . ?
O30 Re3 O31 77.9(2) . . ?
C4 Re3 O20 98.8(4) . . ?
C4 Re3 O30 98.3(4) . . ?
C4 Re3 O31 175.5(3) . . ?
C4 Re3 C5 84.3(5) . . ?
C4 Re3 C6 85.7(5) . . ?
C5 Re3 O20 175.8(3) . . ?
C5 Re3 O30 96.6(3) . . ?
C5 Re3 O31 98.5(3) . . ?
C6 Re3 O20 97.5(3) . . ?
C6 Re3 O30 175.5(3) . . ?
C6 Re3 O31 98.0(3) . . ?
C6 Re3 C5 85.6(4) . . ?
O13 Re4 W1 37.87(17) . . ?
O13 Re4 O17 71.3(2) . . ?
O13 Re4 O22 71.8(2) . . ?
O17 Re4 W1 38.25(15) . . ?
O22 Re4 W1 81.15(16) . . ?
O22 Re4 O17 71.0(2) . . ?
C1 Re4 W1 137.9(4) . . ?
C1 Re4 O13 167.6(4) . . ?
C1 Re4 O17 101.0(4) . . ?
C1 Re4 O22 96.7(4) . . ?
C2 Re4 W1 133.9(3) . . ?
C2 Re4 O13 98.3(4) . . ?
C2 Re4 O17 168.0(4) . . ?
C2 Re4 O22 100.3(3) . . ?
C2 Re4 C1 88.0(5) . . ?
C3 Re4 W1 89.1(3) . . ?
C3 Re4 O13 102.3(3) . . ?
C3 Re4 O17 99.2(4) . . ?
C3 Re4 O22 169.7(4) . . ?
C3 Re4 C1 88.3(5) . . ?
C3 Re4 C2 88.9(5) . . ?
O1W K1 W3 98.81(18) . 2_657 ?
O1W K1 O3W 77.8(3) . . ?
O1W K1 O16 81.7(2) . 2_657 ?
O1W K1 O25 75.3(2) . 2_657 ?
O2W K1 W3 128.5(2) . 2_657 ?
O2W K1 O1W 78.9(3) . . ?
O2W K1 O3W 119.3(3) . 3_667 ?
O2W K1 O3W 54.8(3) . . ?
O2W K1 O16 96.1(3) . 2_657 ?
O2W K1 O23 128.3(3) . 2_657 ?
O2W K1 O25 139.6(3) . 2_657 ?
O3W K1 W3 175.0(3) . 2_657 ?
O3W K1 W3 107.4(3) 3_667 2_657 ?
O3W K1 O1W 70.4(4) 3_667 . ?
O3W K1 O3W 68.0(4) 3_667 . ?
O3W K1 O16 127.8(3) 3_667 2_657 ?
O3W K1 O23 112.1(3) 3_667 2_657 ?
O3W K1 O25 80.1(3) 3_667 2_657 ?
O16 K1 W3 34.30(11) 2_657 2_657 ?
O16 K1 O3W 147.0(3) 2_657 . ?
O16 K1 O25 50.08(16) 2_657 2_657 ?
O19 K1 W3 94.95(16) . 2_657 ?
O19 K1 O1W 145.9(3) . . ?
O19 K1 O2W 68.2(3) . . ?
O19 K1 O3W 133.9(3) . 3_667 ?
O19 K1 O3W 89.9(3) . . ?
O19 K1 O16 92.9(2) . 2_657 ?
O19 K1 O23 72.7(2) . 2_657 ?
O19 K1 O25 125.7(2) . 2_657 ?
O23 K1 W3 27.10(13) 2_657 2_657 ?
O23 K1 O1W 125.9(2) 2_657 . ?
O23 K1 O3W 155.8(3) 2_657 . ?
O23 K1 O16 53.30(17) 2_657 2_657 ?
O23 K1 O25 53.66(17) 2_657 2_657 ?
O25 K1 W3 31.36(11) 2_657 2_657 ?
O25 K1 O3W 143.6(3) 2_657 . ?
K1 O3W K1 112.0(4) 3_667 . ?
W1 O13 W2 116.5(3) . . ?
W1 O13 Re4 100.9(3) . . ?
W2 O13 Re4 101.8(2) . . ?
W1 O14 W4 116.7(3) . . ?
W1 O16 W3 116.9(3) . . ?
W1 O16 K1 126.3(3) . 2_647 ?
W3 O16 K1 90.2(2) . 2_647 ?
W1 O17 W5 114.7(3) . . ?
W1 O17 Re4 99.4(3) . . ?
W5 O17 Re4 102.6(3) . . ?
W1 O18 W2 93.9(2) . . ?
W3 O18 W1 90.9(2) . . ?
W3 O18 W2 175.1(3) . . ?
W3 O18 W4 89.4(2) . . ?
W3 O18 W5 90.1(2) . . ?
W4 O18 W1 91.07(18) . . ?
W4 O18 W2 89.3(2) . . ?
W4 O18 W5 175.7(3) . . ?
W5 O18 W1 93.2(2) . . ?
W5 O18 W2 90.8(2) . . ?
W2 O19 K1 163.5(3) . . ?
W2 O20 Re3 149.1(3) . . ?
W2 O21 W4 119.6(3) . . ?
W2 O22 Re4 102.7(2) . . ?
W5 O22 W2 111.2(3) . . ?
W5 O22 Re4 104.3(3) . . ?
W3 O23 K1 99.9(3) . 2_647 ?
W5 O24 W3 118.9(3) . . ?
W3 O25 W4 115.8(3) . . ?
W3 O25 K1 89.7(2) . 2_647 ?
W4 O25 K1 135.3(2) . 2_647 ?
W3 O26 Re2 167.7(4) . . ?
W4 O29 Re1 167.8(4) . . ?
W5 O30 Re3 149.4(3) . . ?
Re1 O31 Re2 102.7(2) . . ?
Re1 O31 Re3 123.0(3) . . ?
Re3 O31 Re2 122.0(3) . . ?
Re1 O32 Re2 106.1(3) . . ?
O1 C1 Re4 176.6(10) . . ?
O2 C2 Re4 177.4(9) . . ?
O3 C3 Re4 177.8(10) . . ?
O4 C4 Re3 173.3(10) . . ?
O5 C5 Re3 178.2(9) . . ?
O6 C6 Re3 176.8(10) . . ?
O7 C7 Re2 179.2(10) . . ?
O8 C8 Re2 178.9(11) . . ?
O9 C9 Re2 178.2(10) . . ?
O10 C10 Re1 178.9(9) . . ?
O11 C11 Re1 178.3(10) . . ?
O12 C12 Re1 178.3(11) . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N1 C13 H13A 109.5 . . ?
N1 C13 H13B 109.5 . . ?
N1 C13 H13C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 C15 H15A 109.5 . . ?
N1 C15 H15B 109.5 . . ?
N1 C15 H15C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C16 H16A 109.5 . . ?
N1 C16 H16B 109.5 . . ?
N1 C16 H16C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N2 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
N2 C19 H19C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N2 C20 H20A 109.5 . . ?
N2 C20 H20B 109.5 . . ?
N2 C20 H20C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N3 C22 H22A 109.5 . . ?
N3 C22 H22B 109.5 . . ?
N3 C22 H22C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N3 C23 H23A 109.5 . . ?
N3 C23 H23B 109.5 . . ?
N3 C23 H23C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C24 H24A 109.5 . . ?
N3 C24 H24B 109.5 . . ?
N3 C24 H24C 109.5 . . ?
C13 N1 C14 109.7(9) . . ?
C13 N1 C15 108.0(9) . . ?
C13 N1 C16 109.9(9) . . ?
C15 N1 C14 108.5(10) . . ?
C16 N1 C14 109.7(8) . . ?
C16 N1 C15 111.0(10) . . ?
C17 N2 C18 109.9(9) . . ?
C19 N2 C17 109.7(9) . . ?
C19 N2 C18 109.4(10) . . ?
C19 N2 C20 108.4(12) . . ?
C20 N2 C17 111.3(11) . . ?
C20 N2 C18 108.1(11) . . ?
C21 N3 C22 116.4(16) . . ?
C21 N3 C23 117.5(16) . . ?
C21 N3 C24 106.5(17) . . ?
C22 N3 C23 108.9(16) . . ?
C22 N3 C24 96.7(16) . . ?
C23 N3 C24 108.5(15) . . ?

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