# Electronic Supplementary Material (ESI) for ChemComm.
# 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. 
# 
#######################################################################

data_15
_audit_block_doi                 10.5517/ccdc.csd.cc20s00v
_database_code_depnum_ccdc_archive 'CCDC 1870106'
_audit_update_record             
;
2018-09-27 deposited with the CCDC.
2018-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H18 Mo9 N2 O28'
_chemical_formula_weight         1525.76

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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.187(6)
_cell_length_b                   5.4936(9)
_cell_length_c                   24.825(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 121.511(4)
_cell_angle_gamma                90.00
_cell_volume                     3161.0(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3745
_cell_measurement_theta_min      3.3
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.066
_exptl_crystal_size_mid          0.053
_exptl_crystal_size_min          0.030
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.206
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2872
_exptl_absorpt_coefficient_mu    3.559
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.797
_exptl_absorpt_correction_T_max  0.899
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            15772
_diffrn_reflns_av_R_equivalents  0.0788
_diffrn_reflns_av_sigmaI/netI    0.0574
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.21
_diffrn_reflns_theta_max         27.49
_reflns_number_total             3577
_reflns_number_gt                2631
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0740P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    CONSTRU
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3577
_refine_ls_number_parameters     240
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.1230
_refine_ls_wR_factor_gt          0.1100
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_restrained_S_all      0.966
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.5000 -0.61746(13) 0.2500 0.00429(17) Uani 1 2 d S . .
Mo2 Mo 0.53362(2) -1.12683(11) 0.38233(2) 0.01087(16) Uani 1 1 d . . .
Mo3 Mo 0.55500(2) -0.65834(10) 0.50223(2) 0.01057(16) Uani 1 1 d . . .
Mo4 Mo 0.40514(2) -0.26083(12) 0.25527(3) 0.01520(17) Uani 1 1 d . . .
Mo5 Mo 0.42409(2) -0.80138(11) 0.37618(2) 0.01190(16) Uani 1 1 d . . .
O1 O 0.3354(2) -0.3106(10) 0.2345(2) 0.0247(12) Uani 1 1 d . . .
O2 O 0.6043(2) -1.0789(10) 0.4076(2) 0.0239(12) Uani 1 1 d . . .
O3 O 0.42076(19) -0.5209(9) 0.2162(2) 0.0173(10) Uani 1 1 d . . .
O4 O 0.4222(2) -0.5715(9) 0.3288(2) 0.0191(11) Uani 1 1 d . . .
O5 O 0.5597(2) -0.8874(9) 0.5520(2) 0.0197(11) Uani 1 1 d . . .
O6 O 0.3544(2) -0.8276(10) 0.3549(2) 0.0254(12) Uani 1 1 d . . .
O7 O 0.54209(19) -0.3861(9) 0.5440(2) 0.0166(10) Uani 1 1 d . . .
O8 O 0.43608(19) -1.0739(9) 0.3365(2) 0.0169(10) Uani 1 1 d . . .
O9 O 0.5016(2) -1.2975(9) 0.3081(2) 0.0159(10) Uani 1 1 d . . .
O10 O 0.51997(19) -0.8443(9) 0.4254(2) 0.0150(10) Uani 1 1 d . . .
O11 O 0.5369(2) -1.3512(9) 0.4337(2) 0.0204(11) Uani 1 1 d . . .
O12 O 0.4869(2) -0.8086(9) 0.1887(2) 0.0177(11) Uani 1 1 d . . .
O13 O 0.6241(2) -0.6260(10) 0.5217(2) 0.0251(12) Uani 1 1 d . . .
O14 O 0.3986(2) -0.0242(10) 0.2078(2) 0.0226(11) Uani 1 1 d . . .
N1 N 0.2679(3) 0.3458(12) 0.1189(3) 0.0275(15) Uani 1 1 d . . .
C7 C 0.2542(3) 0.6654(14) 0.0253(3) 0.0249(17) Uani 1 1 d . . .
C6 C 0.2996(3) 0.4942(16) 0.0532(4) 0.0301(19) Uani 1 1 d . . .
H6A H 0.3256 0.4863 0.0397 0.036 Uiso 1 1 calc R . .
C5 C 0.2166(4) 0.6668(17) 0.0481(4) 0.037(2) Uani 1 1 d . . .
H5A H 0.1862 0.7772 0.0317 0.044 Uiso 1 1 calc R . .
C4 C 0.2242(4) 0.5096(16) 0.0935(4) 0.037(2) Uani 1 1 d . . .
H4A H 0.1986 0.5136 0.1078 0.044 Uiso 1 1 calc R . .
C3 C 0.2790(4) 0.1790(19) 0.1718(4) 0.042(2) Uani 1 1 d . . .
H3A H 0.2887 0.0195 0.1632 0.050 Uiso 1 1 calc R . .
H3B H 0.3125 0.2386 0.2104 0.050 Uiso 1 1 calc R . .
C2 C 0.2307(4) 0.151(2) 0.1832(5) 0.056(3) Uani 1 1 d . . .
H2A H 0.2420 0.0400 0.2177 0.083 Uiso 1 1 calc R . .
H2B H 0.1974 0.0876 0.1459 0.083 Uiso 1 1 calc R . .
H2C H 0.2216 0.3061 0.1935 0.083 Uiso 1 1 calc R . .
C1 C 0.3059(3) 0.3397(16) 0.0996(4) 0.032(2) Uani 1 1 d . . .
H1A H 0.3365 0.2303 0.1179 0.039 Uiso 1 1 calc R . .


_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
Mo1 O12 1.725(5) 2_655 ?
Mo1 O12 1.725(5) . ?
Mo1 O3 1.933(5) 2_655 ?
Mo1 O3 1.933(5) . ?
Mo1 O9 2.260(5) 2_665 ?
Mo1 O9 2.260(5) 1_565 ?
Mo2 O2 1.700(5) . ?
Mo2 O11 1.743(5) . ?
Mo2 O9 1.832(5) . ?
Mo2 O10 2.025(5) . ?
Mo2 O8 2.293(4) . ?
Mo2 O12 2.335(5) 2_655 ?
Mo3 O13 1.687(5) . ?
Mo3 O5 1.720(5) . ?
Mo3 O10 1.922(5) . ?
Mo3 O7 1.953(5) . ?
Mo3 O11 2.259(5) 1_565 ?
Mo3 O7 2.275(5) 5_646 ?
Mo4 O14 1.701(5) . ?
Mo4 O1 1.707(5) . ?
Mo4 O3 1.896(5) . ?
Mo4 O8 2.014(5) 1_565 ?
Mo4 O9 2.246(5) 1_565 ?
Mo4 O4 2.361(5) . ?
Mo5 O6 1.686(5) . ?
Mo5 O4 1.708(5) . ?
Mo5 O8 1.911(5) . ?
Mo5 O7 1.982(5) 5_646 ?
Mo5 O10 2.239(5) . ?
Mo5 O5 2.341(5) 5_636 ?
O5 Mo5 2.340(5) 5_636 ?
O7 Mo5 1.982(5) 5_646 ?
O7 Mo3 2.275(5) 5_646 ?
O8 Mo4 2.014(5) 1_545 ?
O9 Mo4 2.246(5) 1_545 ?
O9 Mo1 2.260(5) 1_545 ?
O11 Mo3 2.259(5) 1_545 ?
O12 Mo2 2.335(5) 2_655 ?
N1 C1 1.350(9) . ?
N1 C4 1.355(10) . ?
N1 C3 1.497(10) . ?
C7 C5 1.404(10) . ?
C7 C6 1.411(10) . ?
C7 C7 1.483(15) 7_565 ?
C6 C1 1.367(11) . ?
C6 H6A 0.9300 . ?
C5 C4 1.346(12) . ?
C5 H5A 0.9300 . ?
C4 H4A 0.9300 . ?
C3 C2 1.490(11) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C1 H1A 0.9300 . ?

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
O12 Mo1 O12 105.0(3) 2_655 . ?
O12 Mo1 O3 96.6(2) 2_655 2_655 ?
O12 Mo1 O3 102.7(2) . 2_655 ?
O12 Mo1 O3 102.7(2) 2_655 . ?
O12 Mo1 O3 96.6(2) . . ?
O3 Mo1 O3 148.2(3) 2_655 . ?
O12 Mo1 O9 164.2(2) 2_655 2_665 ?
O12 Mo1 O9 89.11(18) . 2_665 ?
O3 Mo1 O9 73.08(18) 2_655 2_665 ?
O3 Mo1 O9 82.20(19) . 2_665 ?
O12 Mo1 O9 89.11(18) 2_655 1_565 ?
O12 Mo1 O9 164.2(2) . 1_565 ?
O3 Mo1 O9 82.20(19) 2_655 1_565 ?
O3 Mo1 O9 73.08(18) . 1_565 ?
O9 Mo1 O9 77.9(2) 2_665 1_565 ?
O2 Mo2 O11 102.9(3) . . ?
O2 Mo2 O9 107.6(2) . . ?
O11 Mo2 O9 101.0(2) . . ?
O2 Mo2 O10 99.7(2) . . ?
O11 Mo2 O10 96.3(2) . . ?
O9 Mo2 O10 143.2(2) . . ?
O2 Mo2 O8 162.5(2) . . ?
O11 Mo2 O8 93.2(2) . . ?
O9 Mo2 O8 75.39(19) . . ?
O10 Mo2 O8 71.40(17) . . ?
O2 Mo2 O12 86.6(2) . 2_655 ?
O11 Mo2 O12 169.6(2) . 2_655 ?
O9 Mo2 O12 79.81(18) . 2_655 ?
O10 Mo2 O12 77.73(19) . 2_655 ?
O8 Mo2 O12 76.88(17) . 2_655 ?
O13 Mo3 O5 102.6(2) . . ?
O13 Mo3 O10 103.9(2) . . ?
O5 Mo3 O10 97.8(2) . . ?
O13 Mo3 O7 104.4(2) . . ?
O5 Mo3 O7 98.4(2) . . ?
O10 Mo3 O7 143.2(2) . . ?
O13 Mo3 O11 84.8(2) . 1_565 ?
O5 Mo3 O11 172.5(2) . 1_565 ?
O10 Mo3 O11 81.36(19) . 1_565 ?
O7 Mo3 O11 78.39(19) . 1_565 ?
O13 Mo3 O7 163.3(2) . 5_646 ?
O5 Mo3 O7 94.1(2) . 5_646 ?
O10 Mo3 O7 73.39(18) . 5_646 ?
O7 Mo3 O7 72.7(2) . 5_646 ?
O11 Mo3 O7 78.57(18) 1_565 5_646 ?
O14 Mo4 O1 102.4(2) . . ?
O14 Mo4 O3 101.1(2) . . ?
O1 Mo4 O3 103.6(2) . . ?
O14 Mo4 O8 98.2(2) . 1_565 ?
O1 Mo4 O8 101.6(2) . 1_565 ?
O3 Mo4 O8 144.0(2) . 1_565 ?
O14 Mo4 O9 98.1(2) . 1_565 ?
O1 Mo4 O9 159.4(2) . 1_565 ?
O3 Mo4 O9 74.08(18) . 1_565 ?
O8 Mo4 O9 73.25(18) 1_565 1_565 ?
O14 Mo4 O4 174.6(2) . . ?
O1 Mo4 O4 81.8(2) . . ?
O3 Mo4 O4 81.06(18) . . ?
O8 Mo4 O4 77.51(19) 1_565 . ?
O9 Mo4 O4 77.62(17) 1_565 . ?
O6 Mo5 O4 102.9(2) . . ?
O6 Mo5 O8 103.7(2) . . ?
O4 Mo5 O8 100.2(2) . . ?
O6 Mo5 O7 102.5(2) . 5_646 ?
O4 Mo5 O7 97.8(2) . 5_646 ?
O8 Mo5 O7 143.8(2) . 5_646 ?
O6 Mo5 O10 163.5(2) . . ?
O4 Mo5 O10 93.5(2) . . ?
O8 Mo5 O10 74.63(17) . . ?
O7 Mo5 O10 73.15(18) 5_646 . ?
O6 Mo5 O5 84.8(2) . 5_636 ?
O4 Mo5 O5 172.2(2) . 5_636 ?
O8 Mo5 O5 78.76(19) . 5_636 ?
O7 Mo5 O5 79.24(19) 5_646 5_636 ?
O10 Mo5 O5 78.77(17) . 5_636 ?
Mo4 O3 Mo1 118.8(2) . . ?
Mo5 O4 Mo4 171.8(3) . . ?
Mo3 O5 Mo5 174.3(3) . 5_636 ?
Mo3 O7 Mo5 144.1(3) . 5_646 ?
Mo3 O7 Mo3 107.3(2) . 5_646 ?
Mo5 O7 Mo3 105.0(2) 5_646 5_646 ?
Mo5 O8 Mo4 145.2(3) . 1_545 ?
Mo5 O8 Mo2 108.0(2) . . ?
Mo4 O8 Mo2 101.61(19) 1_545 . ?
Mo2 O9 Mo4 109.7(2) . 1_545 ?
Mo2 O9 Mo1 151.7(3) . 1_545 ?
Mo4 O9 Mo1 94.01(17) 1_545 1_545 ?
Mo3 O10 Mo2 143.0(3) . . ?
Mo3 O10 Mo5 108.5(2) . . ?
Mo2 O10 Mo5 106.0(2) . . ?
Mo2 O11 Mo3 170.7(3) . 1_545 ?
Mo1 O12 Mo2 168.4(3) . 2_655 ?
C1 N1 C4 120.0(7) . . ?
C1 N1 C3 117.1(7) . . ?
C4 N1 C3 122.8(7) . . ?
C5 C7 C6 116.2(7) . . ?
C5 C7 C7 121.1(9) . 7_565 ?
C6 C7 C7 122.7(8) . 7_565 ?
C1 C6 C7 121.3(7) . . ?
C1 C6 H6A 119.3 . . ?
C7 C6 H6A 119.3 . . ?
C4 C5 C7 120.5(7) . . ?
C4 C5 H5A 119.8 . . ?
C7 C5 H5A 119.8 . . ?
C5 C4 N1 122.0(7) . . ?
C5 C4 H4A 119.0 . . ?
N1 C4 H4A 119.0 . . ?
C2 C3 N1 115.9(7) . . ?
C2 C3 H3A 108.3 . . ?
N1 C3 H3A 108.3 . . ?
C2 C3 H3B 108.3 . . ?
N1 C3 H3B 108.3 . . ?
H3A C3 H3B 107.4 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C1 C6 120.0(7) . . ?
N1 C1 H1A 120.0 . . ?
C6 C1 H1A 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O14 Mo4 O3 Mo1 97.2(3) . . . . ?
O1 Mo4 O3 Mo1 -157.0(3) . . . . ?
O8 Mo4 O3 Mo1 -23.8(5) 1_565 . . . ?
O9 Mo4 O3 Mo1 1.8(2) 1_565 . . . ?
O4 Mo4 O3 Mo1 -77.8(3) . . . . ?
O12 Mo1 O3 Mo4 83.3(3) 2_655 . . . ?
O12 Mo1 O3 Mo4 -169.6(3) . . . . ?
O3 Mo1 O3 Mo4 -42.5(2) 2_655 . . . ?
O9 Mo1 O3 Mo4 -81.5(3) 2_665 . . . ?
O9 Mo1 O3 Mo4 -1.8(2) 1_565 . . . ?
O6 Mo5 O4 Mo4 -12.2(19) . . . . ?
O8 Mo5 O4 Mo4 94.6(19) . . . . ?
O7 Mo5 O4 Mo4 -117.0(19) 5_646 . . . ?
O10 Mo5 O4 Mo4 169.6(19) . . . . ?
O5 Mo5 O4 Mo4 175.9(11) 5_636 . . . ?
O14 Mo4 O4 Mo5 150(2) . . . . ?
O1 Mo4 O4 Mo5 9.2(19) . . . . ?
O3 Mo4 O4 Mo5 -96.0(19) . . . . ?
O8 Mo4 O4 Mo5 113.1(19) 1_565 . . . ?
O9 Mo4 O4 Mo5 -171.6(19) 1_565 . . . ?
O13 Mo3 O5 Mo5 2(3) . . . 5_636 ?
O10 Mo3 O5 Mo5 108(3) . . . 5_636 ?
O7 Mo3 O5 Mo5 -105(3) . . . 5_636 ?
O11 Mo3 O5 Mo5 -168.3(18) 1_565 . . 5_636 ?
O7 Mo3 O5 Mo5 -178(100) 5_646 . . 5_636 ?
O13 Mo3 O7 Mo5 -43.9(5) . . . 5_646 ?
O5 Mo3 O7 Mo5 61.4(5) . . . 5_646 ?
O10 Mo3 O7 Mo5 176.7(3) . . . 5_646 ?
O11 Mo3 O7 Mo5 -125.4(5) 1_565 . . 5_646 ?
O7 Mo3 O7 Mo5 153.1(6) 5_646 . . 5_646 ?
O13 Mo3 O7 Mo3 162.9(2) . . . 5_646 ?
O5 Mo3 O7 Mo3 -91.7(2) . . . 5_646 ?
O10 Mo3 O7 Mo3 23.6(5) . . . 5_646 ?
O11 Mo3 O7 Mo3 81.5(2) 1_565 . . 5_646 ?
O7 Mo3 O7 Mo3 0.0 5_646 . . 5_646 ?
O6 Mo5 O8 Mo4 48.8(5) . . . 1_545 ?
O4 Mo5 O8 Mo4 -57.3(5) . . . 1_545 ?
O7 Mo5 O8 Mo4 -175.9(3) 5_646 . . 1_545 ?
O10 Mo5 O8 Mo4 -148.1(5) . . . 1_545 ?
O5 Mo5 O8 Mo4 130.6(5) 5_636 . . 1_545 ?
O6 Mo5 O8 Mo2 -164.4(2) . . . . ?
O4 Mo5 O8 Mo2 89.5(2) . . . . ?
O7 Mo5 O8 Mo2 -29.1(5) 5_646 . . . ?
O10 Mo5 O8 Mo2 -1.37(17) . . . . ?
O5 Mo5 O8 Mo2 -82.7(2) 5_636 . . . ?
O2 Mo2 O8 Mo5 -60.2(7) . . . . ?
O11 Mo2 O8 Mo5 97.1(3) . . . . ?
O9 Mo2 O8 Mo5 -162.4(3) . . . . ?
O10 Mo2 O8 Mo5 1.54(19) . . . . ?
O12 Mo2 O8 Mo5 -79.7(2) 2_655 . . . ?
O2 Mo2 O8 Mo4 101.2(7) . . . 1_545 ?
O11 Mo2 O8 Mo4 -101.6(2) . . . 1_545 ?
O9 Mo2 O8 Mo4 -1.1(2) . . . 1_545 ?
O10 Mo2 O8 Mo4 162.9(3) . . . 1_545 ?
O12 Mo2 O8 Mo4 81.6(2) 2_655 . . 1_545 ?
O2 Mo2 O9 Mo4 -161.0(2) . . . 1_545 ?
O11 Mo2 O9 Mo4 91.5(3) . . . 1_545 ?
O10 Mo2 O9 Mo4 -24.9(5) . . . 1_545 ?
O8 Mo2 O9 Mo4 1.02(19) . . . 1_545 ?
O12 Mo2 O9 Mo4 -77.9(2) 2_655 . . 1_545 ?
O2 Mo2 O9 Mo1 53.5(6) . . . 1_545 ?
O11 Mo2 O9 Mo1 -54.0(5) . . . 1_545 ?
O10 Mo2 O9 Mo1 -170.4(4) . . . 1_545 ?
O8 Mo2 O9 Mo1 -144.5(6) . . . 1_545 ?
O12 Mo2 O9 Mo1 136.6(6) 2_655 . . 1_545 ?
O13 Mo3 O10 Mo2 40.5(5) . . . . ?
O5 Mo3 O10 Mo2 -64.6(5) . . . . ?
O7 Mo3 O10 Mo2 180.0(3) . . . . ?
O11 Mo3 O10 Mo2 122.9(4) 1_565 . . . ?
O7 Mo3 O10 Mo2 -156.5(5) 5_646 . . . ?
O13 Mo3 O10 Mo5 -161.6(2) . . . . ?
O5 Mo3 O10 Mo5 93.2(2) . . . . ?
O7 Mo3 O10 Mo5 -22.2(5) . . . . ?
O11 Mo3 O10 Mo5 -79.3(2) 1_565 . . . ?
O7 Mo3 O10 Mo5 1.30(17) 5_646 . . . ?
O2 Mo2 O10 Mo3 -38.7(5) . . . . ?
O11 Mo2 O10 Mo3 65.5(4) . . . . ?
O9 Mo2 O10 Mo3 -176.7(3) . . . . ?
O8 Mo2 O10 Mo3 156.8(5) . . . . ?
O12 Mo2 O10 Mo3 -123.1(4) 2_655 . . . ?
O2 Mo2 O10 Mo5 163.1(2) . . . . ?
O11 Mo2 O10 Mo5 -92.6(2) . . . . ?
O9 Mo2 O10 Mo5 25.2(5) . . . . ?
O8 Mo2 O10 Mo5 -1.30(16) . . . . ?
O12 Mo2 O10 Mo5 78.8(2) 2_655 . . . ?
O6 Mo5 O10 Mo3 -78.3(8) . . . . ?
O4 Mo5 O10 Mo3 95.6(2) . . . . ?
O8 Mo5 O10 Mo3 -164.8(3) . . . . ?
O7 Mo5 O10 Mo3 -1.5(2) 5_646 . . . ?
O5 Mo5 O10 Mo3 -83.5(2) 5_636 . . . ?
O6 Mo5 O10 Mo2 88.0(8) . . . . ?
O4 Mo5 O10 Mo2 -98.1(2) . . . . ?
O8 Mo5 O10 Mo2 1.53(19) . . . . ?
O7 Mo5 O10 Mo2 164.8(3) 5_646 . . . ?
O5 Mo5 O10 Mo2 82.8(2) 5_636 . . . ?
O2 Mo2 O11 Mo3 -25.1(18) . . . 1_545 ?
O9 Mo2 O11 Mo3 86.0(18) . . . 1_545 ?
O10 Mo2 O11 Mo3 -126.6(18) . . . 1_545 ?
O8 Mo2 O11 Mo3 161.8(18) . . . 1_545 ?
O12 Mo2 O11 Mo3 179.3(10) 2_655 . . 1_545 ?
O12 Mo1 O12 Mo2 16.9(12) 2_655 . . 2_655 ?
O3 Mo1 O12 Mo2 117.4(13) 2_655 . . 2_655 ?
O3 Mo1 O12 Mo2 -88.2(13) . . . 2_655 ?
O9 Mo1 O12 Mo2 -170.2(14) 2_665 . . 2_655 ?
O9 Mo1 O12 Mo2 -136.1(11) 1_565 . . 2_655 ?
C5 C7 C6 C1 0.0(12) . . . . ?
C7 C7 C6 C1 -179.6(9) 7_565 . . . ?
C6 C7 C5 C4 -0.7(13) . . . . ?
C7 C7 C5 C4 179.0(9) 7_565 . . . ?
C7 C5 C4 N1 0.2(15) . . . . ?
C1 N1 C4 C5 1.1(13) . . . . ?
C3 N1 C4 C5 176.5(9) . . . . ?
C1 N1 C3 C2 -167.7(9) . . . . ?
C4 N1 C3 C2 16.8(13) . . . . ?
C4 N1 C1 C6 -1.8(13) . . . . ?
C3 N1 C1 C6 -177.4(8) . . . . ?
C7 C6 C1 N1 1.2(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         2.775
_refine_diff_density_min         -2.196
_refine_diff_density_rms         0.281
