# Electronic Supplementary Material (ESI) for Chemical Communications.
# 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_mo_emasni37_4_p-1
_database_code_depnum_ccdc_archive 'CCDC 1477611'
_audit_update_record             
;
2016-05-04 deposited with the CCDC.
2016-06-15 downloaded from the CCDC.
;
_audit_creation_date             2016-05-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2013-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C5 H24 Na2 Ni O31 W6, 2(C4 H12 N), 3(H2 O)'
_chemical_formula_sum            'C13 H54 N2 Na2 Ni O34 W6'
_chemical_formula_weight         1990.37
_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'
Na Na 0.0362 0.0249 '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'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6825(4)
_cell_length_b                   10.3943(5)
_cell_length_c                   11.7580(6)
_cell_angle_alpha                113.7330(12)
_cell_angle_beta                 102.5434(12)
_cell_angle_gamma                90.4790(12)
_cell_volume                     1051.34(9)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9773
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      30.189
_cell_measurement_theta_min      2.937
_shelx_estimated_absorpt_T_max   0.294
_shelx_estimated_absorpt_T_min   0.175
_exptl_absorpt_coefficient_mu    16.905
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.5679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0669 before and 0.0426 after correction.
The Ratio of minimum to maximum transmission is 0.7613.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'clear blue'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    3.144
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.158
_exptl_crystal_size_mid          0.153
_exptl_crystal_size_min          0.096
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0130
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            46417
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         2.936
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'INCOATEC microfocus sealed tube'
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3816
_reflns_number_total             3820
_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       'APEX2 v2013.6-2'
_computing_data_collection       'APEX2 v2013.6-2'
_computing_data_reduction        'APEX2 v2013.6-2'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         0.829
_refine_diff_density_min         -1.913
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.320
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         3820
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0179
_refine_ls_R_factor_gt           0.0179
_refine_ls_restrained_S_all      1.319
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0163P)²+4.6476P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0457
_refine_ls_wR_factor_ref         0.0457
_refine_special_details          
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, H2 of O2, H3 of O3
 At 1.5 times of:
  All C(H,H,H) groups, H1 of O1, H13 of O13, All O(H,H) groups
2. Restrained distances
 O6-H14A
 2 with sigma of 0.05
 O1-H1 = O3-H3 = O2-H2
 0.9 with sigma of 0.02
 C1-H1 = C3-H3 = C2-H2
 0.475 with sigma of 0.02
 H19B-O8_$1
 1.9 with sigma of 0.02
 H19D-O8_$1
 1.8 with sigma of 0.05
 H19C-O9_$1
 1.9 with sigma of 0.05
 H15C-O10_$3
 1.9 with sigma of 0.05
 H15D-H15C
 1.45 with sigma of 0.01
 O15B-H15C = O15B-H15D
 0.9 with sigma of 0.01
 H17B-O15B
 1.9 with sigma of 0.01
 O19B-H17A
 1.8 with sigma of 0.05
 H15D-O17_$3
 2.3 with sigma of 0.05
 H16B-O18_$2
 2.5 with sigma of 0.05
 H19A-O18
 1.8 with sigma of 0.05
 H18B-O7_$4
 1.9 with sigma of 0.05
 H18A-O17
 2.1 with sigma of 0.05
 Na1-H15D
 2.8 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C1) = Uanis(C3) = Uanis(C2) = Uanis(C5)
Uanis(O15A) = Uanis(O15B) = Uanis(O16B) = Uanis(O16A) = Uanis(O19B) =
Uanis(O19A)
4. Others
 Fixed Sof: H1(0.5) H3(0.5) H2(0.5) C2(0.5) H2A(0.5) H2B(0.5) C4(0.5) O17(0.5)
 H17A(0.5) H17B(0.5) C3(0.5) H3A(0.5) H3B(0.5) C1(0.5) H1A(0.5) H1B(0.5)
 O16A(0.5) H16A(0.5) H16B(0.5) O18(0.5) H18A(0.5) H18B(0.5) O19B(0.25)
 H19A(0.25) H19B(0.25) O15A(0.5) H15A(0.5) H15B(0.5) O13(0.5) H13(0.5) C5(0.5)
 H5A(0.5) H5B(0.5) O15B(0.5) H15C(0.5) H15D(0.5) O16B(0.5) H16C(0.5) H16D(0.5)
 O19A(0.25) H19C(0.25) H19D(0.25)
5.a Free rotating group:
 O17(H17A,H17B), O18(H18A,H18B), O19B(H19A,H19B), O19A(H19C,H19D)
5.b Rotating group:
 O14(H14A,H14B), O16A(H16A,H16B), O15A(H15A,H15B), O16B(H16C,H16D)
5.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C1(H1A,H1B), C5(H5A,H5B)
5.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C)
5.e Idealised tetrahedral OH refined as rotating group:
 O13(H13)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_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
Ni1 Ni 0.5000 0.0000 0.5000 0.01757(19) Uani 1 2 d S T P D .
W3 W 0.55779(2) 0.00540(2) 0.79068(2) 0.00996(6) Uani 1 1 d . . . . .
W1 W 0.70479(2) 0.21328(2) 0.44276(2) 0.00968(6) Uani 1 1 d . . . . .
W2 W 0.76905(2) 0.20865(2) 0.73022(2) 0.00921(6) Uani 1 1 d . . . . .
Na1 Na 0.3796(2) 0.2601(2) 1.04467(18) 0.0190(4) Uani 1 1 d D . . . .
O1 O 0.4768(3) 0.1402(3) 0.4188(3) 0.0120(6) Uani 1 1 d D . . . .
H1 H 0.414(9) 0.201(10) 0.450(12) 0.018 Uiso 0.5 1 d DR . . A 2
O3 O 0.2879(3) -0.0517(3) 0.4731(3) 0.0094(6) Uani 1 1 d D . . . .
H3 H 0.238(10) 0.025(6) 0.500(11) 0.011 Uiso 0.5 1 d DR . . B 2
O6 O 0.3549(3) -0.0484(3) 0.7180(3) 0.0122(6) Uani 1 1 d D . . . .
O2 O 0.4668(3) -0.1441(3) 0.3172(3) 0.0126(6) Uani 1 1 d D . . . .
H2 H 0.529(6) -0.211(7) 0.307(11) 0.015 Uiso 0.5 1 d DR . . C 2
O8 O 0.8847(3) 0.2169(4) 0.4479(3) 0.0172(7) Uani 1 1 d D . . . .
O11 O 0.5431(3) 0.1476(3) 0.9282(3) 0.0151(7) Uani 1 1 d . . . . .
O4 O 0.7081(3) 0.3092(3) 0.6227(3) 0.0116(6) Uani 1 1 d . . . . .
O10 O 0.7624(4) 0.3491(4) 0.8724(3) 0.0166(7) Uani 1 1 d D . . . .
O5 O 0.7438(3) 0.0518(3) 0.7723(3) 0.0116(6) Uani 1 1 d . . . . .
O12 O 0.6044(3) -0.1274(3) 0.8395(3) 0.0157(7) Uani 1 1 d . . . . .
O9 O 0.9502(3) 0.2045(4) 0.7357(3) 0.0169(7) Uani 1 1 d D . . . .
O7 O 0.6494(4) 0.3495(4) 0.3996(3) 0.0185(7) Uani 1 1 d D . . . .
N1 N 0.9798(5) 0.3146(6) 0.1843(4) 0.0314(11) Uani 1 1 d . . . . .
C9 C 1.0327(7) 0.3886(8) 0.1131(6) 0.0371(15) Uani 1 1 d . . . . .
H9A H 1.0184 0.3233 0.0229 0.056 Uiso 1 1 calc GR . . . .
H9B H 1.1343 0.4206 0.1505 0.056 Uiso 1 1 calc GR . . . .
H9C H 0.9800 0.4704 0.1195 0.056 Uiso 1 1 calc GR . . . .
C6 C 0.8250(7) 0.2713(9) 0.1330(7) 0.0455(18) Uani 1 1 d . . . . .
H6A H 0.7760 0.3530 0.1315 0.068 Uiso 1 1 calc GR . . . .
H6B H 0.7892 0.2353 0.1875 0.068 Uiso 1 1 calc GR . . . .
H6C H 0.8073 0.1970 0.0458 0.068 Uiso 1 1 calc GR . . . .
C2 C 0.5729(9) -0.2342(10) 0.3082(9) 0.0104(8) Uani 0.5 1 d D . . D 1
H2A H 0.6224 -0.2289 0.2446 0.013 Uiso 0.5 1 calc R . . D 1
H2B H 0.5265 -0.3319 0.2736 0.013 Uiso 0.5 1 calc R . . D 1
C4 C 0.6860(9) -0.2089(9) 0.4308(8) 0.0093(16) Uani 0.5 1 d . . . D 1
C7 C 1.0073(11) 0.4171(10) 0.3227(7) 0.069(3) Uani 1 1 d . . . . .
H7A H 1.1074 0.4566 0.3538 0.104 Uiso 1 1 calc GR . . . .
H7B H 0.9860 0.3677 0.3735 0.104 Uiso 1 1 calc GR . . . .
H7C H 0.9465 0.4936 0.3310 0.104 Uiso 1 1 calc GR . . . .
C8 C 1.0561(9) 0.1921(10) 0.1745(11) 0.068(3) Uani 1 1 d . . . . .
H8A H 1.0366 0.1241 0.0848 0.102 Uiso 1 1 calc GR . . . .
H8B H 1.0247 0.1477 0.2253 0.102 Uiso 1 1 calc GR . . . .
H8C H 1.1585 0.2220 0.2070 0.102 Uiso 1 1 calc GR . . . .
O17 O 0.3525(9) 0.3545(10) 0.7486(8) 0.0334(19) Uani 0.5 1 d D . . E 2
H17A H 0.2847 0.2873 0.6993 0.050 Uiso 0.5 1 d DG . . E 2
H17B H 0.3347 0.3980 0.8235 0.050 Uiso 0.5 1 d DG . . E 2
C3 C 0.2170(10) 0.0699(9) 0.5146(9) 0.0104(8) Uani 0.5 1 d D . . F 1
H3A H 0.1704 0.0684 0.5812 0.013 Uiso 0.5 1 calc R . . F 1
H3B H 0.1414 0.0671 0.4417 0.013 Uiso 0.5 1 calc R . . F 1
C1 C 0.3759(9) 0.2283(10) 0.4649(9) 0.0104(8) Uani 0.5 1 d D . . G 1
H1A H 0.2956 0.2148 0.3913 0.013 Uiso 0.5 1 calc R . . G 1
H1B H 0.4191 0.3273 0.5001 0.013 Uiso 0.5 1 calc R . . G 1
O14 O 0.1857(4) 0.1170(5) 0.8750(4) 0.0355(10) Uani 1 1 d . . . . .
H14A H 0.2111 0.0411 0.7927 0.053 Uiso 1 1 d DGR . . . .
H14B H 0.1102 0.1679 0.8325 0.053 Uiso 1 1 d GR . . . .
O16A O 0.3835(11) 0.4269(10) 1.2660(9) 0.0217(10) Uani 0.5 1 d . . . H 1
H16A H 0.4643 0.4255 1.3220 0.033 Uiso 0.5 1 d GR . . H 1
H16B H 0.3083 0.4053 1.2926 0.033 Uiso 0.5 1 d DGR . . H 1
O18 O 0.3115(10) 0.3555(10) 0.4855(12) 0.056(3) Uani 0.5 1 d D . . I 2
H18A H 0.3240 0.3497 0.5588 0.083 Uiso 0.5 1 d DG . . I 2
H18B H 0.3232 0.4438 0.4984 0.083 Uiso 0.5 1 d DG . . I 2
O19B O 0.1507(17) 0.1903(16) 0.5484(14) 0.0217(10) Uani 0.25 1 d D . . J 2
H19A H 0.1925 0.2424 0.5207 0.033 Uiso 0.25 1 d DG . . J 2
H19B H 0.0644 0.2123 0.5499 0.033 Uiso 0.25 1 d DG . . J 2
O15A O 0.3300(9) 0.4272(8) 0.9611(8) 0.0217(10) Uani 0.5 1 d . . . H 1
H15A H 0.2808 0.4969 1.0085 0.033 Uiso 0.5 1 d GR . . H 1
H15B H 0.2747 0.3877 0.8778 0.033 Uiso 0.5 1 d GR . . H 1
O13 O 0.8343(7) -0.3484(7) 0.2850(7) 0.0186(14) Uani 0.5 1 d . . . D 1
H13 H 0.9030 -0.2868 0.3068 0.028 Uiso 0.5 1 calc GR . . D 1
C5 C 0.7819(9) -0.3311(9) 0.3939(8) 0.0104(8) Uani 0.5 1 d . . . D 1
H5A H 0.8636 -0.3126 0.4676 0.013 Uiso 0.5 1 calc R . . D 1
H5B H 0.7266 -0.4204 0.3763 0.013 Uiso 0.5 1 calc R . . D 1
O15B O 0.4006(9) 0.4627(8) 1.0035(7) 0.0217(10) Uani 0.5 1 d D . . H 2
H15C H 0.336(5) 0.525(6) 1.013(7) 0.033 Uiso 0.5 1 d DR . . K 2
H15D H 0.486(4) 0.513(5) 1.049(6) 0.033 Uiso 0.5 1 d DR . . L 2
O16B O 0.4190(11) 0.4404(10) 1.2496(9) 0.0217(10) Uani 0.5 1 d . . . H 2
H16C H 0.4981 0.4972 1.2656 0.033 Uiso 0.5 1 d GR . . H 2
H16D H 0.4313 0.4061 1.3100 0.033 Uiso 0.5 1 d GR . . H 2
O19A O 0.1151(17) 0.1465(16) 0.5675(14) 0.0217(10) Uani 0.25 1 d . . . M 3
H19C H 0.0876 0.1526 0.6350 0.033 Uiso 0.25 1 d DG . . M 3
H19D H 0.0545 0.1817 0.5246 0.033 Uiso 0.25 1 d DG . . M 3


_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
Ni1 O1 2.029(3) . ?
Ni1 O1 2.029(3) 2_656 ?
Ni1 O3 2.042(3) 2_656 ?
Ni1 O3 2.042(3) . ?
Ni1 O2 2.017(3) . ?
Ni1 O2 2.017(3) 2_656 ?
W3 O1 2.259(3) 2_656 ?
W3 O6 1.942(3) . ?
W3 O2 2.256(3) 2_656 ?
W3 O11 1.732(3) . ?
W3 O5 1.940(3) . ?
W3 O12 1.724(3) . ?
W1 O1 2.249(3) . ?
W1 O3 2.262(3) 2_656 ?
W1 O6 1.935(3) 2_656 ?
W1 O8 1.729(3) . ?
W1 O4 1.935(3) . ?
W1 O7 1.739(3) . ?
W2 O3 2.226(3) 2_656 ?
W2 O2 2.258(3) 2_656 ?
W2 O4 1.946(3) . ?
W2 O10 1.736(3) . ?
W2 O5 1.913(3) . ?
W2 O9 1.743(3) . ?
Na1 O11 2.331(4) . ?
Na1 O12 2.282(4) 2_657 ?
Na1 O14 2.378(5) . ?
Na1 O16A 2.471(10) . ?
Na1 O15A 2.322(8) . ?
Na1 O15B 2.359(8) . ?
Na1 O16B 2.327(10) . ?
O1 W3 2.259(3) 2_656 ?
O1 C1 1.390(9) . ?
O3 W1 2.262(3) 2_656 ?
O3 W2 2.226(3) 2_656 ?
O3 C3 1.403(9) . ?
O6 W1 1.935(3) 2_656 ?
O2 W3 2.256(3) 2_656 ?
O2 W2 2.258(3) 2_656 ?
O2 C2 1.388(9) . ?
O12 Na1 2.282(4) 2_657 ?
N1 C9 1.501(7) . ?
N1 C6 1.480(7) . ?
N1 C7 1.505(9) . ?
N1 C8 1.455(10) . ?
C2 C4 1.533(12) . ?
C4 C3 1.533(12) 2_656 ?
C4 C1 1.556(12) 2_656 ?
C4 C5 1.554(11) . ?
C3 C4 1.533(12) 2_656 ?
C1 C4 1.556(12) 2_656 ?
O13 C5 1.424(11) . ?

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 Ni1 O1 180.0 . 2_656 ?
O1 Ni1 O3 96.35(12) 2_656 2_656 ?
O1 Ni1 O3 83.65(12) 2_656 . ?
O1 Ni1 O3 83.65(12) . 2_656 ?
O1 Ni1 O3 96.35(12) . . ?
O3 Ni1 O3 180.0 . 2_656 ?
O2 Ni1 O1 96.39(12) 2_656 . ?
O2 Ni1 O1 96.39(12) . 2_656 ?
O2 Ni1 O1 83.61(12) 2_656 2_656 ?
O2 Ni1 O1 83.61(12) . . ?
O2 Ni1 O3 96.70(12) 2_656 . ?
O2 Ni1 O3 83.30(12) . . ?
O2 Ni1 O3 96.70(12) . 2_656 ?
O2 Ni1 O3 83.30(12) 2_656 2_656 ?
O2 Ni1 O2 180.0 . 2_656 ?
O6 W3 O1 71.46(12) . 2_656 ?
O6 W3 O2 84.86(12) . 2_656 ?
O2 W3 O1 73.35(12) 2_656 2_656 ?
O11 W3 O1 160.08(13) . 2_656 ?
O11 W3 O6 96.29(14) . . ?
O11 W3 O2 90.30(14) . 2_656 ?
O11 W3 O5 102.72(14) . . ?
O5 W3 O1 83.22(12) . 2_656 ?
O5 W3 O6 149.60(12) . . ?
O5 W3 O2 71.68(11) . 2_656 ?
O12 W3 O1 93.10(14) . 2_656 ?
O12 W3 O6 101.06(15) . . ?
O12 W3 O2 162.83(14) . 2_656 ?
O12 W3 O11 104.89(15) . . ?
O12 W3 O5 96.74(14) . . ?
O1 W1 O3 74.01(11) . 2_656 ?
O6 W1 O1 71.80(12) 2_656 . ?
O6 W1 O3 83.20(12) 2_656 2_656 ?
O8 W1 O1 163.04(14) . . ?
O8 W1 O3 92.99(14) . 2_656 ?
O8 W1 O6 96.28(14) . 2_656 ?
O8 W1 O4 101.21(15) . . ?
O8 W1 O7 104.62(16) . . ?
O4 W1 O1 85.11(12) . . ?
O4 W1 O3 71.14(12) . 2_656 ?
O4 W1 O6 149.46(13) . 2_656 ?
O7 W1 O1 89.98(14) . . ?
O7 W1 O3 160.71(14) . 2_656 ?
O7 W1 O6 102.26(14) . 2_656 ?
O7 W1 O4 97.31(14) . . ?
O3 W2 O2 73.98(11) 2_656 2_656 ?
O4 W2 O3 71.74(12) . 2_656 ?
O4 W2 O2 82.65(12) . 2_656 ?
O10 W2 O3 161.66(13) . 2_656 ?
O10 W2 O2 91.98(14) . 2_656 ?
O10 W2 O4 95.19(14) . . ?
O10 W2 O5 101.00(14) . . ?
O10 W2 O9 104.05(16) . . ?
O5 W2 O3 86.10(12) . 2_656 ?
O5 W2 O2 72.11(12) . 2_656 ?
O5 W2 O4 150.27(13) . . ?
O9 W2 O3 91.59(13) . 2_656 ?
O9 W2 O2 162.49(14) . 2_656 ?
O9 W2 O4 102.54(14) . . ?
O9 W2 O5 97.52(14) . . ?
O11 Na1 O14 91.33(14) . . ?
O11 Na1 O16A 137.7(3) . . ?
O11 Na1 O15B 93.6(2) . . ?
O12 Na1 O11 95.69(13) 2_657 . ?
O12 Na1 O14 96.82(16) 2_657 . ?
O12 Na1 O16A 74.0(2) 2_657 . ?
O12 Na1 O15A 165.8(2) 2_657 . ?
O12 Na1 O15B 158.2(2) 2_657 . ?
O12 Na1 O16B 80.5(2) 2_657 . ?
O14 Na1 O16A 130.1(3) . . ?
O15A Na1 O11 98.3(2) . . ?
O15A Na1 O14 84.8(2) . . ?
O15A Na1 O16A 94.1(3) . . ?
O15B Na1 O14 102.6(2) . . ?
O16B Na1 O11 129.6(3) . . ?
O16B Na1 O14 139.1(3) . . ?
O16B Na1 O15B 78.4(3) . . ?
Ni1 O1 W3 101.28(13) . 2_656 ?
Ni1 O1 W1 101.59(13) . . ?
W1 O1 W3 94.81(11) . 2_656 ?
C1 O1 Ni1 108.8(4) . . ?
C1 O1 W3 121.6(4) . 2_656 ?
C1 O1 W1 124.9(4) . . ?
Ni1 O3 W1 100.74(12) . 2_656 ?
Ni1 O3 W2 101.48(12) . 2_656 ?
W2 O3 W1 95.49(11) 2_656 2_656 ?
C3 O3 Ni1 111.1(4) . . ?
C3 O3 W1 123.1(4) . 2_656 ?
C3 O3 W2 121.2(4) . 2_656 ?
W1 O6 W3 117.73(15) 2_656 . ?
Ni1 O2 W3 101.74(14) . 2_656 ?
Ni1 O2 W2 101.20(13) . 2_656 ?
W3 O2 W2 94.13(11) 2_656 2_656 ?
C2 O2 Ni1 108.9(4) . . ?
C2 O2 W3 121.0(4) . 2_656 ?
C2 O2 W2 125.9(4) . 2_656 ?
W3 O11 Na1 142.74(18) . . ?
W1 O4 W2 117.71(16) . . ?
W2 O5 W3 118.15(15) . . ?
W3 O12 Na1 159.48(19) . 2_657 ?
C9 N1 C7 107.8(5) . . ?
C6 N1 C9 110.2(5) . . ?
C6 N1 C7 109.1(6) . . ?
C8 N1 C9 110.1(6) . . ?
C8 N1 C6 110.4(6) . . ?
C8 N1 C7 109.2(7) . . ?
O2 C2 C4 117.8(7) . . ?
C2 C4 C1 113.4(7) . 2_656 ?
C2 C4 C5 106.1(7) . . ?
C3 C4 C2 114.2(7) 2_656 . ?
C3 C4 C1 111.8(7) 2_656 2_656 ?
C3 C4 C5 107.2(7) 2_656 . ?
C5 C4 C1 103.1(7) . 2_656 ?
O3 C3 C4 114.1(7) . 2_656 ?
O1 C1 C4 117.3(7) . 2_656 ?
O13 C5 C4 113.5(7) . . ?

_olex2_date_sample_data_collection 2016-04-14
_olex2_submission_special_instructions 'No special instructions were received'
