# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_l
_database_code_depnum_ccdc_archive 'CCDC 1895048'
loop_
_audit_author_name
_audit_author_address
'Yamin Li'
;Henan University
China
;
_audit_update_record             
;
2019-02-01 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H16 Co N14 O17 P0 W5'
_chemical_formula_weight         1678.63

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
N N 0.0061 0.0033 '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'
Co Co 0.3494 0.9721 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           66
_space_group_name_H-M_alt        'C c c m'
_space_group_name_Hall           '-C 2 2c'

_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.
;

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

_cell_length_a                   13.0024(8)
_cell_length_b                   21.9573(13)
_cell_length_c                   22.2526(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6353.1(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3687
_cell_measurement_theta_min      2.584
_cell_measurement_theta_max      25.00

_exptl_crystal_description       granular
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    3.510
_exptl_crystal_F_000             6040
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_absorpt_coefficient_mu    18.643
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.059
_exptl_absorpt_correction_T_max  0.129
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Apex-II CCD detector diffractometer'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15772
_diffrn_reflns_av_unetI/netI     0.0387
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.820
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             2897
_reflns_number_gt                2359
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0277P)²+31.3472P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2897
_refine_ls_number_parameters     269
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0305
_refine_ls_wR_factor_ref         0.0651
_refine_ls_wR_factor_gt          0.0621
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001

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 0.18728(4) 0.07947(2) 0.0000 0.02286(13) Uani 1 2 d S T P . .
W2 W 0.14162(3) -0.02096(2) -0.10434(2) 0.02624(11) Uani 1 1 d . . . . .
W3 W -0.09526(4) 0.12312(2) 0.0000 0.02666(14) Uani 1 2 d S T P . .
W4 W 0.31641(4) -0.04821(2) 0.0000 0.03100(15) Uani 1 2 d S T P . .
Co1 Co 0.0000 0.5000 0.2500 0.0259(5) Uani 1 4 d S T P . .
O1 O 0.2298(6) 0.1539(3) 0.0000 0.0251(19) Uani 1 2 d S T P . .
O2 O 0.1463(6) -0.0195(3) 0.0000 0.0221(18) Uani 1 2 d S T P . .
O3 O 0.3185(6) 0.0401(4) 0.0000 0.032(2) Uani 1 2 d S T P . .
O4 O 0.1754(4) 0.0623(2) 0.0834(2) 0.0265(13) Uani 1 1 d . . . . .
O5 O 0.0426(7) 0.0968(3) 0.0000 0.030(2) Uani 1 2 d S T P . .
O6 O 0.0000 0.0000 -0.1014(3) 0.0250(19) Uani 1 2 d S T P . .
O7 O -0.1062(4) 0.1020(2) 0.0832(2) 0.0278(14) Uani 1 1 d . . . . .
O8 O 0.2855(4) -0.0403(3) 0.0842(3) 0.0310(14) Uani 1 1 d . . . . .
O9 O 0.1578(5) -0.0234(3) -0.1798(3) 0.0416(18) Uani 1 1 d . . . . .
O10 O -0.2465(7) 0.1239(4) 0.0000 0.035(2) Uani 1 2 d S T P . .
O11 O -0.0782(7) 0.1994(4) 0.0000 0.038(2) Uani 1 2 d S T P . .
O12 O 0.4421(7) -0.0678(4) 0.0000 0.055(3) Uani 1 2 d S T P . .
O1W O 0.0000 0.5000 0.1457(4) 0.057(3) Uani 1 2 d S T P . .
N1 N 0.1109(6) 0.4327(3) 0.2473(3) 0.0326(19) Uani 1 1 d . . . . .
N2 N 0.1393(5) 0.2606(3) 0.0679(3) 0.0245(16) Uani 1 1 d . . . . .
N3 N 0.0595(5) 0.2385(3) 0.1507(3) 0.0274(17) Uani 1 1 d . . . . .
N4 N 0.0239(7) 0.2943(4) 0.1349(3) 0.043(2) Uani 1 1 d . . . . .
N5 N 0.1915(5) 0.3498(3) 0.2712(3) 0.0279(17) Uani 1 1 d . . . . .
N6 N 0.2256(7) 0.3641(4) 0.2145(3) 0.042(2) Uani 1 1 d . . . . .
N7 N 0.0000 0.2380(4) 0.2500 0.025(2) Uani 1 2 d S T P . .
N8 N 0.2500 0.2500 0.2720(5) 0.029(2) Uani 1 2 d S T P . .
C1 C 0.1228(7) 0.3909(4) 0.2887(4) 0.030(2) Uani 1 1 d . . . . .
H1A H 0.0881 0.3902 0.3252 0.036 Uiso 1 1 calc R U . . .
C2 C 0.1760(9) 0.4143(4) 0.2029(5) 0.047(3) Uani 1 1 d . . . . .
H2A H 0.1844 0.4358 0.1672 0.056 Uiso 1 1 calc R U . . .
C3 C 0.1281(7) 0.2197(4) 0.1116(4) 0.035(2) Uani 1 1 d . . . . .
H3A H 0.1639 0.1831 0.1142 0.043 Uiso 1 1 calc R U . . .
C4 C 0.0743(8) 0.3048(4) 0.0845(4) 0.036(2) Uani 1 1 d . . . . .
H4A H 0.0653 0.3402 0.0622 0.043 Uiso 1 1 calc R U . . .
C5 C 0.0251(7) 0.2048(4) 0.2023(4) 0.028(2) Uani 1 1 d . . . . .
C6 C 0.0253(7) 0.1426(4) 0.1987(4) 0.036(2) Uani 1 1 d . . . . .
H6A H 0.0417 0.1225 0.1632 0.044 Uiso 1 1 calc R U . . .
C7 C 0.0000 0.1111(6) 0.2500 0.036(3) Uani 1 2 d S T P . .
H7A H 0.0000 0.0687 0.2500 0.044 Uiso 1 2 calc R U P . .
C8 C 0.2239(7) 0.2983(4) 0.3053(4) 0.027(2) Uani 1 1 d . . . . .
C9 C 0.2260(7) 0.3020(4) 0.3660(4) 0.036(2) Uani 1 1 d . . . . .
H9A H 0.2118 0.3385 0.3856 0.043 Uiso 1 1 calc R U . . .
C10 C 0.2500 0.2500 0.3982(6) 0.037(3) Uani 1 2 d S T P . .
H10A H 0.2500 0.2500 0.4400 0.045 Uiso 1 2 calc R U P . .
Co2 Co 0.2500 0.2500 0.0000 0.0147(5) Uani 1 4 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 1.725(7) . ?
W1 O4 1.899(5) 10 ?
W1 O4 1.899(5) . ?
W1 O3 1.912(8) . ?
W1 O5 1.920(9) . ?
W1 O2 2.237(7) . ?
W2 O9 1.693(6) . ?
W2 O7 1.898(5) 9 ?
W2 O6 1.8992(5) . ?
W2 O4 1.938(5) 10 ?
W2 O8 1.970(6) 10 ?
W2 O2 2.3230(4) . ?
W3 O11 1.689(8) . ?
W3 O5 1.883(9) . ?
W3 O7 1.913(6) 10 ?
W3 O7 1.913(6) . ?
W3 O10 1.967(9) . ?
W3 O2 2.370(7) 9 ?
W4 O12 1.689(9) . ?
W4 O10 1.895(8) 9 ?
W4 O8 1.924(6) . ?
W4 O8 1.924(6) 10 ?
W4 O3 1.940(8) . ?
W4 O2 2.299(8) . ?
Co1 N1 2.066(7) 4_565 ?
Co1 N1 2.066(7) 3 ?
Co1 N1 2.066(7) 2_565 ?
Co1 N1 2.066(7) . ?
Co1 O1W 2.320(10) . ?
Co1 O1W 2.320(10) 3 ?
O1 Co2 2.127(7) . ?
O2 W2 2.3229(4) 10 ?
O2 W3 2.370(7) 9 ?
O4 W2 1.938(5) 10 ?
O6 W2 1.8993(5) 2 ?
O7 W2 1.898(5) 9 ?
O8 W2 1.970(6) 10 ?
O10 W4 1.895(8) 9 ?
N1 C1 1.308(10) . ?
N1 C2 1.363(12) . ?
N2 C3 1.333(11) . ?
N2 C4 1.340(11) . ?
N2 Co2 2.099(7) . ?
N3 C3 1.313(11) . ?
N3 N4 1.356(10) . ?
N3 C5 1.438(10) . ?
N4 C4 1.318(11) . ?
N5 C1 1.329(11) . ?
N5 N6 1.375(10) . ?
N5 C8 1.424(10) . ?
N6 C2 1.302(12) . ?
N7 C5 1.328(10) 3 ?
N7 C5 1.328(10) . ?
N8 C8 1.337(10) 6 ?
N8 C8 1.337(10) . ?
C1 H1A 0.9300 . ?
C2 H2A 0.9300 . ?
C3 H3A 0.9300 . ?
C4 H4A 0.9300 . ?
C5 C6 1.369(12) . ?
C6 C7 1.375(11) . ?
C6 H6A 0.9300 . ?
C7 C6 1.375(11) 3 ?
C7 H7A 0.9300 . ?
C8 C9 1.355(12) . ?
C9 C10 1.384(11) . ?
C9 H9A 0.9300 . ?
C10 C9 1.384(11) 6 ?
C10 H10A 0.9300 . ?
Co2 N2 2.099(7) 10 ?
Co2 N2 2.099(7) 6 ?
Co2 N2 2.099(7) 13 ?
Co2 O1 2.127(7) 13 ?

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 O4 102.34(16) . 10 ?
O1 W1 O4 102.34(16) . . ?
O4 W1 O4 155.3(3) 10 . ?
O1 W1 O3 98.1(4) . . ?
O4 W1 O3 89.05(18) 10 . ?
O4 W1 O3 89.05(18) . . ?
O1 W1 O5 97.3(4) . . ?
O4 W1 O5 87.66(18) 10 . ?
O4 W1 O5 87.66(18) . . ?
O3 W1 O5 164.6(3) . . ?
O1 W1 O2 175.1(3) . . ?
O4 W1 O2 77.77(16) 10 . ?
O4 W1 O2 77.77(16) . . ?
O3 W1 O2 76.9(3) . . ?
O5 W1 O2 87.6(3) . . ?
O9 W2 O7 104.3(3) . 9 ?
O9 W2 O6 99.3(3) . . ?
O7 W2 O6 89.06(19) 9 . ?
O9 W2 O4 103.9(3) . 10 ?
O7 W2 O4 151.7(2) 9 10 ?
O6 W2 O4 88.99(18) . 10 ?
O9 W2 O8 95.8(3) . 10 ?
O7 W2 O8 88.4(2) 9 10 ?
O6 W2 O8 164.8(3) . 10 ?
O4 W2 O8 86.2(2) 10 10 ?
O9 W2 O2 171.3(3) . . ?
O7 W2 O2 76.8(2) 9 . ?
O6 W2 O2 89.3(3) . . ?
O4 W2 O2 74.9(2) 10 . ?
O8 W2 O2 75.5(3) 10 . ?
O11 W3 O5 100.4(4) . . ?
O11 W3 O7 104.45(16) . 10 ?
O5 W3 O7 89.80(19) . 10 ?
O11 W3 O7 104.45(16) . . ?
O5 W3 O7 89.80(19) . . ?
O7 W3 O7 150.7(3) 10 . ?
O11 W3 O10 97.0(4) . . ?
O5 W3 O10 162.6(3) . . ?
O7 W3 O10 85.86(18) 10 . ?
O7 W3 O10 85.86(18) . . ?
O11 W3 O2 171.3(4) . 9 ?
O5 W3 O2 88.4(3) . 9 ?
O7 W3 O2 75.34(16) 10 9 ?
O7 W3 O2 75.34(16) . 9 ?
O10 W3 O2 74.3(3) . 9 ?
O12 W4 O10 103.9(4) . 9 ?
O12 W4 O8 103.00(17) . . ?
O10 W4 O8 88.80(18) 9 . ?
O12 W4 O8 103.00(17) . 10 ?
O10 W4 O8 88.80(18) 9 10 ?
O8 W4 O8 153.7(3) . 10 ?
O12 W4 O3 103.9(4) . . ?
O10 W4 O3 152.1(4) 9 . ?
O8 W4 O3 84.99(18) . . ?
O8 W4 O3 84.99(18) 10 . ?
O12 W4 O2 178.8(4) . . ?
O10 W4 O2 77.2(3) 9 . ?
O8 W4 O2 76.96(17) . . ?
O8 W4 O2 76.96(17) 10 . ?
O3 W4 O2 74.9(3) . . ?
N1 Co1 N1 176.7(4) 4_565 3 ?
N1 Co1 N1 88.6(4) 4_565 2_565 ?
N1 Co1 N1 91.5(4) 3 2_565 ?
N1 Co1 N1 91.5(4) 4_565 . ?
N1 Co1 N1 88.6(4) 3 . ?
N1 Co1 N1 176.7(4) 2_565 . ?
N1 Co1 O1W 91.6(2) 4_565 . ?
N1 Co1 O1W 91.6(2) 3 . ?
N1 Co1 O1W 88.4(2) 2_565 . ?
N1 Co1 O1W 88.4(2) . . ?
N1 Co1 O1W 88.4(2) 4_565 3 ?
N1 Co1 O1W 88.4(2) 3 3 ?
N1 Co1 O1W 91.6(2) 2_565 3 ?
N1 Co1 O1W 91.6(2) . 3 ?
O1W Co1 O1W 180.0 . 3 ?
W1 O1 Co2 168.4(5) . . ?
W1 O2 W4 92.1(3) . . ?
W1 O2 W2 91.13(18) . 10 ?
W4 O2 W2 91.23(19) . 10 ?
W1 O2 W2 91.13(18) . . ?
W4 O2 W2 91.24(19) . . ?
W2 O2 W2 176.6(4) 10 . ?
W1 O2 W3 177.5(4) . 9 ?
W4 O2 W3 90.4(3) . 9 ?
W2 O2 W3 88.81(18) 10 9 ?
W2 O2 W3 88.81(18) . 9 ?
W1 O3 W4 116.0(4) . . ?
W1 O4 W2 116.1(3) . 10 ?
W3 O5 W1 173.5(5) . . ?
W2 O6 W2 176.1(5) . 2 ?
W2 O7 W3 119.0(3) 9 . ?
W4 O8 W2 116.1(3) . 10 ?
W4 O10 W3 118.1(4) 9 . ?
C1 N1 C2 103.3(7) . . ?
C1 N1 Co1 124.3(6) . . ?
C2 N1 Co1 131.8(6) . . ?
C3 N2 C4 102.6(7) . . ?
C3 N2 Co2 121.7(6) . . ?
C4 N2 Co2 135.4(6) . . ?
C3 N3 N4 110.2(7) . . ?
C3 N3 C5 125.3(8) . . ?
N4 N3 C5 124.5(7) . . ?
C4 N4 N3 102.1(7) . . ?
C1 N5 N6 109.2(7) . . ?
C1 N5 C8 125.7(8) . . ?
N6 N5 C8 125.1(7) . . ?
C2 N6 N5 102.5(7) . . ?
C5 N7 C5 113.5(10) 3 . ?
C8 N8 C8 112.7(11) 6 . ?
N1 C1 N5 110.5(8) . . ?
N1 C1 H1A 124.7 . . ?
N5 C1 H1A 124.7 . . ?
N6 C2 N1 114.5(8) . . ?
N6 C2 H2A 122.7 . . ?
N1 C2 H2A 122.7 . . ?
N3 C3 N2 110.2(8) . . ?
N3 C3 H3A 124.9 . . ?
N2 C3 H3A 124.9 . . ?
N4 C4 N2 114.9(8) . . ?
N4 C4 H4A 122.5 . . ?
N2 C4 H4A 122.5 . . ?
N7 C5 C6 126.5(8) . . ?
N7 C5 N3 115.6(8) . . ?
C6 C5 N3 117.8(8) . . ?
C5 C6 C7 116.9(9) . . ?
C5 C6 H6A 121.5 . . ?
C7 C6 H6A 121.5 . . ?
C6 C7 C6 119.6(13) 3 . ?
C6 C7 H7A 120.2 3 . ?
C6 C7 H7A 120.2 . . ?
N8 C8 C9 126.6(9) . . ?
N8 C8 N5 114.2(8) . . ?
C9 C8 N5 119.2(8) . . ?
C8 C9 C10 118.1(10) . . ?
C8 C9 H9A 120.9 . . ?
C10 C9 H9A 120.9 . . ?
C9 C10 C9 117.6(13) . 6 ?
C9 C10 H10A 121.2 . . ?
C9 C10 H10A 121.2 6 . ?
N2 Co2 N2 180.0(5) 10 6 ?
N2 Co2 N2 88.0(4) 10 13 ?
N2 Co2 N2 92.0(4) 6 13 ?
N2 Co2 N2 92.0(4) 10 . ?
N2 Co2 N2 88.0(4) 6 . ?
N2 Co2 N2 180.0(3) 13 . ?
N2 Co2 O1 91.4(2) 10 . ?
N2 Co2 O1 88.6(2) 6 . ?
N2 Co2 O1 88.6(2) 13 . ?
N2 Co2 O1 91.4(2) . . ?
N2 Co2 O1 88.6(2) 10 13 ?
N2 Co2 O1 91.4(2) 6 13 ?
N2 Co2 O1 91.4(2) 13 13 ?
N2 Co2 O1 88.6(2) . 13 ?
O1 Co2 O1 180.0 . 13 ?

_refine_diff_density_max         1.460
_refine_diff_density_min         -1.822
_refine_diff_density_rms         0.211

####################################################################### 
# 
# 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_l_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1895049'
loop_
_audit_author_name
_audit_author_address
'Yamin Li'
;Henan University
China
;
_audit_update_record             
;
2019-02-01 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H66 Cd3 N42 O92 P2 W24'
_chemical_formula_weight         7587.02

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'
Cd Cd -0.8075 1.2024 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Cubic
_symmetry_space_group_name_H-M   Ia-3

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

_cell_length_a                   30.375(4)
_cell_length_b                   30.375(4)
_cell_length_c                   30.375(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     28026(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4114
_cell_measurement_theta_min      0.997
_cell_measurement_theta_max      24.990

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.591
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             26864
_exptl_absorpt_coefficient_mu    20.188
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.018
_exptl_absorpt_correction_T_max  0.025
_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         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex-II CCD detector diffractometer'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            79754
_diffrn_reflns_av_R_equivalents  0.0675
_diffrn_reflns_av_sigmaI/netI    0.0204
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.51
_diffrn_reflns_theta_max         24.99
_reflns_number_total             4114
_reflns_number_gt                4113
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0328P)²+5173.3159P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4114
_refine_ls_number_parameters     310
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_gt           0.0920
_refine_ls_wR_factor_ref         0.1887
_refine_ls_wR_factor_gt          0.1887
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_restrained_S_all      1.231
_refine_ls_shift/su_max          0.002
_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
Cd1 Cd 0.5000 -0.2500 -1.15665(11) 0.0537(7) Uani 1 2 d S . .
W1 W -0.04016(4) 0.10912(4) -0.48330(4) 0.0454(3) Uani 1 1 d . . .
W2 W -0.03043(4) 0.06589(4) -0.59246(4) 0.0542(4) Uani 1 1 d . . .
W3 W 0.27440(6) -0.15846(5) -0.81975(5) 0.0881(7) Uani 1 1 d . . .
W4 W 0.34479(6) -0.25197(5) -0.81888(5) 0.0780(5) Uani 1 1 d . . .
O1 O 0.3576(4) -0.2933(4) -0.7713(4) 0.013(2) Uiso 1 1 d . . .
O2 O 0.2906(13) -0.2265(13) -0.7746(13) 0.055(10) Uiso 0.50 1 d P . .
O3 O 0.2869(8) -0.1162(7) -0.8525(8) 0.078(7) Uani 1 1 d . . .
O4 O -0.0243(7) 0.0929(6) -0.4259(7) 0.062(6) Uani 1 1 d . . .
O5 O -0.0444(7) 0.0969(7) -0.6359(6) 0.061(5) Uani 1 1 d . . .
O6 O -0.0494(7) 0.0989(11) -0.5451(7) 0.098(10) Uani 1 1 d . . .
O7 O -0.0779(7) 0.0282(7) -0.5875(11) 0.096(10) Uani 1 1 d . . .
O8 O 0.0017(7) 0.0191(7) -0.6182(11) 0.099(10) Uani 1 1 d . . .
O9 O -0.0597(9) 0.1596(7) -0.4764(10) 0.094(9) Uani 1 1 d . . .
O10 O 0.3145(14) -0.1495(8) -0.7732(10) 0.147(17) Uani 1 1 d . . .
O11 O 0.3631(14) -0.2180(8) -0.7690(11) 0.151(17) Uani 1 1 d . . .
O12 O 0.3130(13) -0.2009(8) -0.8401(13) 0.150(17) Uani 1 1 d . . .
O13 O -0.0019(10) 0.0491(10) -0.5161(10) 0.033(7) Uiso 0.50 1 d P . .
O14 O 0.0277(10) -0.0277(10) -0.5277(10) 0.037(13) Uani 0.50 3 d SP . .
O15 O 0.3897(9) -0.2518(14) -0.8513(10) 0.145(16) Uani 1 1 d . . .
O16 O 0.2256(10) -0.2256(10) -0.7256(10) 0.028(11) Uiso 0.50 3 d SP . .
N1 N 0.3953(7) -0.3095(7) -1.0746(8) 0.047(5) Uani 1 1 d . . .
N2 N 0.4474(7) -0.2703(7) -1.1060(7) 0.045(5) Uani 1 1 d . . .
N3 N 0.4035(9) -0.2738(9) -1.0473(8) 0.060(6) Uani 1 1 d . . .
N4 N 0.3251(6) -0.4365(6) -1.1181(7) 0.039(5) Uani 1 1 d . . .
N5 N 0.2939(8) -0.4682(10) -1.1156(10) 0.070(8) Uani 1 1 d . . .
N6 N 0.3580(8) -0.3732(7) -1.0947(7) 0.049(5) Uani 1 1 d . . .
N7 N 0.3302(9) -0.4754(8) -1.1779(8) 0.061(7) Uani 1 1 d . . .
C1 C 0.4231(9) -0.3052(8) -1.1092(8) 0.050(7) Uani 1 1 d D . .
H1A H 0.4245 -0.3250 -1.1325 0.060 Uiso 1 1 calc R . .
C2 C 0.3312(9) -0.4068(9) -1.0848(9) 0.047(6) Uani 1 1 d . . .
C3 C 0.3091(10) -0.4101(10) -1.0438(10) 0.058(7) Uani 1 1 d . . .
H3A H 0.2900 -0.4334 -1.0382 0.069 Uiso 1 1 calc R . .
C4 C 0.3641(9) -0.3421(9) -1.0630(9) 0.050(7) Uani 1 1 d . . .
C5 C 0.2986(10) -0.4917(10) -1.1522(11) 0.066(9) Uani 1 1 d D . .
H5A H 0.2819 -0.5164 -1.1591 0.079 Uiso 1 1 calc R . .
C6 C 0.3441(10) -0.3427(12) -1.0227(10) 0.061(8) Uani 1 1 d . . .
H6A H 0.3485 -0.3202 -1.0023 0.074 Uiso 1 1 calc R . .
C7 C 0.4333(13) -0.2521(10) -1.0666(11) 0.079(10) Uani 1 1 d D . .
C8 C 0.3164(12) -0.3791(12) -1.0133(11) 0.072(9) Uani 1 1 d . . .
H8A H 0.3032 -0.3815 -0.9858 0.087 Uiso 1 1 calc R . .
C9 C 0.3455(8) -0.4414(8) -1.1555(8) 0.047(7) Uani 1 1 d D . .
H9A H 0.3680 -0.4232 -1.1652 0.056 Uiso 1 1 calc R . .
H7A H 0.4407 -0.2301 -1.0502 0.056 Uiso 1 1 d R . .
P1 P 0.0000 0.0000 -0.5000 0.033(3) Uani 1 6 d S . .
P2 P 0.2500 -0.2500 -0.7500 0.062(6) Uani 1 6 d S . .
O1W O 0.4471(11) -0.2663(11) -1.2147(11) 0.119(11) Uiso 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
Cd1 N2 2.30(2) 14_544 ?
Cd1 N2 2.30(2) . ?
Cd1 N7 2.35(3) 34_644 ?
Cd1 N7 2.35(3) 47_563 ?
Cd1 O1W 2.44(3) . ?
Cd1 O1W 2.44(3) 14_544 ?
W1 O9 1.66(2) . ?
W1 O4 1.87(2) . ?
W1 O8 1.88(2) 34 ?
W1 O6 1.92(2) . ?
W1 O4 1.938(18) 10_554 ?
W1 O13 2.38(3) . ?
W1 O14 2.52(3) 25_554 ?
W2 O5 1.676(17) . ?
W2 O6 1.85(3) . ?
W2 O7 1.85(2) . ?
W2 O8 1.89(2) . ?
W2 O7 1.95(2) 34 ?
W2 O13 2.48(3) 31_655 ?
W2 O13 2.53(3) . ?
W3 O3 1.667(18) . ?
W3 O12 1.85(4) . ?
W3 O11 1.87(4) 43_644 ?
W3 O10 1.89(3) . ?
W3 O10 1.91(2) 43_644 ?
W3 O2 2.53(4) . ?
W4 O15 1.68(3) . ?
W4 O11 1.91(2) . ?
W4 O12 1.94(2) . ?
W4 O1 1.954(11) . ?
W4 O1 2.043(11) 10_554 ?
W4 O2 2.26(4) . ?
O1 W4 2.043(11) 7_454 ?
O2 O16 1.54(4) 37_543 ?
O2 P2 1.61(4) . ?
O4 W1 1.938(18) 7_454 ?
O7 W2 1.95(2) 31_655 ?
O8 W1 1.88(2) 31_655 ?
O10 W3 1.91(2) 46_544 ?
O11 W3 1.87(4) 46_544 ?
O13 P1 1.57(3) . ?
O13 O14 1.67(4) 25_554 ?
O13 W2 2.48(3) 34 ?
O14 P1 1.46(5) . ?
O14 O13 1.67(4) 34 ?
O14 O13 1.67(4) 31_655 ?
O14 O13 1.67(4) 25_554 ?
O14 W1 2.52(3) 31_655 ?
O14 W1 2.52(3) 34 ?
O14 W1 2.52(3) 25_554 ?
O16 P2 1.28(5) . ?
O16 O2 1.54(4) 46_544 ?
O16 O2 1.54(4) 37_543 ?
O16 O2 1.54(4) 43_644 ?
N1 C1 1.36(3) . ?
N1 N3 1.39(3) . ?
N1 C4 1.41(4) . ?
N2 C1 1.30(3) . ?
N2 C7 1.39(4) . ?
N3 C7 1.26(4) . ?
N4 C9 1.30(3) . ?
N4 N5 1.35(3) . ?
N4 C2 1.37(3) . ?
N5 C5 1.33(4) . ?
N6 C2 1.34(3) . ?
N6 C4 1.36(3) . ?
N7 C9 1.32(3) . ?
N7 C5 1.33(4) . ?
N7 Cd1 2.35(3) 31_744 ?
C1 H1A 0.9300 . ?
C2 C3 1.42(4) . ?
C3 C8 1.34(4) . ?
C3 H3A 0.9300 . ?
C4 C6 1.37(4) . ?
C5 H5A 0.9300 . ?
C6 C8 1.42(5) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.8638 . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
P1 O14 1.46(5) 25_554 ?
P1 O13 1.57(3) 31_655 ?
P1 O13 1.57(3) 7_454 ?
P1 O13 1.57(3) 34 ?
P1 O13 1.57(3) 10_554 ?
P1 O13 1.57(3) 25_554 ?
P2 O16 1.28(5) 37_543 ?
P2 O2 1.61(4) 46_544 ?
P2 O2 1.61(4) 10_554 ?
P2 O2 1.61(4) 37_543 ?
P2 O2 1.61(4) 43_644 ?
P2 O2 1.61(4) 7_454 ?

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
N2 Cd1 N2 96.1(11) 14_544 . ?
N2 Cd1 N7 98.2(8) 14_544 34_644 ?
N2 Cd1 N7 94.8(8) . 34_644 ?
N2 Cd1 N7 94.8(8) 14_544 47_563 ?
N2 Cd1 N7 98.2(8) . 47_563 ?
N7 Cd1 N7 160.5(13) 34_644 47_563 ?
N2 Cd1 O1W 174.7(10) 14_544 . ?
N2 Cd1 O1W 88.4(10) . . ?
N7 Cd1 O1W 84.1(10) 34_644 . ?
N7 Cd1 O1W 81.8(10) 47_563 . ?
N2 Cd1 O1W 88.4(10) 14_544 14_544 ?
N2 Cd1 O1W 174.7(10) . 14_544 ?
N7 Cd1 O1W 81.8(10) 34_644 14_544 ?
N7 Cd1 O1W 84.1(10) 47_563 14_544 ?
O1W Cd1 O1W 87.2(16) . 14_544 ?
O9 W1 O4 102.5(12) . . ?
O9 W1 O8 103.8(14) . 34 ?
O4 W1 O8 91.0(10) . 34 ?
O9 W1 O6 102.7(14) . . ?
O4 W1 O6 154.6(12) . . ?
O8 W1 O6 85.8(9) 34 . ?
O9 W1 O4 101.3(12) . 10_554 ?
O4 W1 O4 87.6(12) . 10_554 ?
O8 W1 O4 154.5(12) 34 10_554 ?
O6 W1 O4 84.6(9) . 10_554 ?
O9 W1 O13 159.5(13) . . ?
O4 W1 O13 93.6(10) . . ?
O8 W1 O13 62.8(12) 34 . ?
O6 W1 O13 62.6(12) . . ?
O4 W1 O13 91.9(10) 10_554 . ?
O9 W1 O14 160.6(15) . 25_554 ?
O4 W1 O14 65.3(9) . 25_554 ?
O8 W1 O14 91.8(13) 34 25_554 ?
O6 W1 O14 89.6(13) . 25_554 ?
O4 W1 O14 64.6(9) 10_554 25_554 ?
O13 W1 O14 39.8(12) . 25_554 ?
O5 W2 O6 103.2(12) . . ?
O5 W2 O7 102.5(12) . . ?
O6 W2 O7 91.7(12) . . ?
O5 W2 O8 103.2(12) . . ?
O6 W2 O8 152.9(13) . . ?
O7 W2 O8 88.3(10) . . ?
O5 W2 O7 102.7(11) . 34 ?
O6 W2 O7 85.7(10) . 34 ?
O7 W2 O7 154.6(17) . 34 ?
O8 W2 O7 82.9(12) . 34 ?
O5 W2 O13 158.2(10) . 31_655 ?
O6 W2 O13 95.3(12) . 31_655 ?
O7 W2 O13 65.1(10) . 31_655 ?
O8 W2 O13 60.3(11) . 31_655 ?
O7 W2 O13 89.9(12) 34 31_655 ?
O5 W2 O13 157.3(10) . . ?
O6 W2 O13 60.1(11) . . ?
O7 W2 O13 93.9(12) . . ?
O8 W2 O13 92.9(12) . . ?
O7 W2 O13 63.0(10) 34 . ?
O13 W2 O13 44.5(12) 31_655 . ?
O3 W3 O12 101.1(15) . . ?
O3 W3 O11 104.9(15) . 43_644 ?
O12 W3 O11 153.9(17) . 43_644 ?
O3 W3 O10 100.9(12) . . ?
O12 W3 O10 86.6(15) . . ?
O11 W3 O10 86.9(17) 43_644 . ?
O3 W3 O10 102.2(12) . 43_644 ?
O12 W3 O10 91.0(16) . 43_644 ?
O11 W3 O10 85.1(14) 43_644 43_644 ?
O10 W3 O10 156.8(17) . 43_644 ?
O3 W3 O2 155.3(12) . . ?
O12 W3 O2 59.2(14) . . ?
O11 W3 O2 95.2(15) 43_644 . ?
O10 W3 O2 65.5(11) . . ?
O10 W3 O2 93.5(14) 43_644 . ?
O15 W4 O11 103.1(19) . . ?
O15 W4 O12 102.0(19) . . ?
O11 W4 O12 88.6(12) . . ?
O15 W4 O1 105.9(11) . . ?
O11 W4 O1 72.8(9) . . ?
O12 W4 O1 149.3(14) . . ?
O15 W4 O1 106.5(11) . 10_554 ?
O11 W4 O1 146.3(13) . 10_554 ?
O12 W4 O1 70.0(9) . 10_554 ?
O1 W4 O1 113.2(6) . 10_554 ?
O15 W4 O2 159.5(18) . . ?
O11 W4 O2 63.7(17) . . ?
O12 W4 O2 63.9(17) . . ?
O1 W4 O2 85.7(10) . . ?
O1 W4 O2 83.3(10) 10_554 . ?
W4 O1 W4 126.1(6) . 7_454 ?
O16 O2 P2 48(2) 37_543 . ?
O16 O2 W4 85(2) 37_543 . ?
P2 O2 W4 133(2) . . ?
O16 O2 W3 136(2) 37_543 . ?
P2 O2 W3 117.7(19) . . ?
W4 O2 W3 95.7(14) . . ?
W1 O4 W1 139.3(11) . 7_454 ?
W2 O6 W1 143.4(18) . . ?
W2 O7 W2 140.5(13) . 31_655 ?
W1 O8 W2 141.8(17) 31_655 . ?
W3 O10 W3 140.9(13) . 46_544 ?
W3 O11 W4 142(2) 46_544 . ?
W3 O12 W4 140(2) . . ?
P1 O13 O14 53.2(19) . 25_554 ?
P1 O13 W1 128.0(16) . . ?
O14 O13 W1 74.8(19) 25_554 . ?
P1 O13 W2 121.8(16) . 34 ?
O14 O13 W2 137.2(16) 25_554 34 ?
W1 O13 W2 94.1(10) . 34 ?
P1 O13 W2 119.3(15) . . ?
O14 O13 W2 130.3(16) 25_554 . ?
W1 O13 W2 93.6(10) . . ?
W2 O13 W2 90.9(10) 34 . ?
P1 O14 O13 59.8(19) . 34 ?
P1 O14 O13 59.8(19) . 31_655 ?
O13 O14 O13 97(3) 34 31_655 ?
P1 O14 O13 59.8(19) . 25_554 ?
O13 O14 O13 97(3) 34 25_554 ?
O13 O14 O13 97(3) 31_655 25_554 ?
P1 O14 W1 125.2(10) . 31_655 ?
O13 O14 W1 128.9(11) 34 31_655 ?
O13 O14 W1 65.4(12) 31_655 31_655 ?
O13 O14 W1 131.1(11) 25_554 31_655 ?
P1 O14 W1 125.2(10) . 34 ?
O13 O14 W1 65.4(12) 34 34 ?
O13 O14 W1 131.1(11) 31_655 34 ?
O13 O14 W1 128.9(11) 25_554 34 ?
W1 O14 W1 90.1(14) 31_655 34 ?
P1 O14 W1 125.2(10) . 25_554 ?
O13 O14 W1 131.1(11) 34 25_554 ?
O13 O14 W1 128.9(11) 31_655 25_554 ?
O13 O14 W1 65.4(12) 25_554 25_554 ?
W1 O14 W1 90.1(14) 31_655 25_554 ?
W1 O14 W1 90.1(14) 34 25_554 ?
P2 O16 O2 69(2) . 46_544 ?
P2 O16 O2 69(2) . 37_543 ?
O2 O16 O2 108(3) 46_544 37_543 ?
P2 O16 O2 69(2) . 43_644 ?
O2 O16 O2 108(3) 46_544 43_644 ?
O2 O16 O2 108(3) 37_543 43_644 ?
C1 N1 N3 106(2) . . ?
C1 N1 C4 133(2) . . ?
N3 N1 C4 121(2) . . ?
C1 N2 C7 102(2) . . ?
C1 N2 Cd1 124.3(17) . . ?
C7 N2 Cd1 133.3(19) . . ?
C7 N3 N1 105(2) . . ?
C9 N4 N5 107(2) . . ?
C9 N4 C2 131(2) . . ?
N5 N4 C2 122(2) . . ?
C5 N5 N4 105(2) . . ?
C2 N6 C4 117(2) . . ?
C9 N7 C5 104(2) . . ?
C9 N7 Cd1 132.1(19) . 31_744 ?
C5 N7 Cd1 123(2) . 31_744 ?
N2 C1 N1 112(2) . . ?
N2 C1 H1A 124.0 . . ?
N1 C1 H1A 124.0 . . ?
N6 C2 N4 115(2) . . ?
N6 C2 C3 123(3) . . ?
N4 C2 C3 122(2) . . ?
C8 C3 C2 119(3) . . ?
C8 C3 H3A 120.7 . . ?
C2 C3 H3A 120.7 . . ?
N6 C4 C6 124(3) . . ?
N6 C4 N1 114(2) . . ?
C6 C4 N1 122(3) . . ?
N5 C5 N7 112(2) . . ?
N5 C5 H5A 124.2 . . ?
N7 C5 H5A 124.2 . . ?
C4 C6 C8 117(3) . . ?
C4 C6 H6A 121.5 . . ?
C8 C6 H6A 121.5 . . ?
N3 C7 N2 115(2) . . ?
N3 C7 H7A 108.6 . . ?
N2 C7 H7A 136.7 . . ?
C3 C8 C6 120(3) . . ?
C3 C8 H8A 119.8 . . ?
C6 C8 H8A 119.8 . . ?
N4 C9 N7 112(2) . . ?
N4 C9 H9A 124.1 . . ?
N7 C9 H9A 124.1 . . ?
O14 P1 O14 180(4) 25_554 . ?
O14 P1 O13 113.0(11) 25_554 31_655 ?
O14 P1 O13 67.0(11) . 31_655 ?
O14 P1 O13 67.0(11) 25_554 7_454 ?
O14 P1 O13 113.0(11) . 7_454 ?
O13 P1 O13 180.000(5) 31_655 7_454 ?
O14 P1 O13 113.0(11) 25_554 34 ?
O14 P1 O13 67.0(11) . 34 ?
O13 P1 O13 105.7(12) 31_655 34 ?
O13 P1 O13 74.3(12) 7_454 34 ?
O14 P1 O13 67.0(11) 25_554 10_554 ?
O14 P1 O13 113.0(11) . 10_554 ?
O13 P1 O13 74.3(12) 31_655 10_554 ?
O13 P1 O13 105.7(12) 7_454 10_554 ?
O13 P1 O13 180(2) 34 10_554 ?
O14 P1 O13 113.0(11) 25_554 25_554 ?
O14 P1 O13 67.0(11) . 25_554 ?
O13 P1 O13 105.7(12) 31_655 25_554 ?
O13 P1 O13 74.3(12) 7_454 25_554 ?
O13 P1 O13 105.7(12) 34 25_554 ?
O13 P1 O13 74.3(12) 10_554 25_554 ?
O14 P1 O13 67.0(11) 25_554 . ?
O14 P1 O13 113.0(11) . . ?
O13 P1 O13 74.3(12) 31_655 . ?
O13 P1 O13 105.7(12) 7_454 . ?
O13 P1 O13 74.3(12) 34 . ?
O13 P1 O13 105.7(12) 10_554 . ?
O13 P1 O13 180.0(7) 25_554 . ?
O16 P2 O16 180(2) . 37_543 ?
O16 P2 O2 63.0(14) . 46_544 ?
O16 P2 O2 117.0(14) 37_543 46_544 ?
O16 P2 O2 117.0(14) . 10_554 ?
O16 P2 O2 63.0(14) 37_543 10_554 ?
O2 P2 O2 180.000(11) 46_544 10_554 ?
O16 P2 O2 63.0(14) . 37_543 ?
O16 P2 O2 117.0(14) 37_543 37_543 ?
O2 P2 O2 101.0(17) 46_544 37_543 ?
O2 P2 O2 79.0(17) 10_554 37_543 ?
O16 P2 O2 63.0(14) . 43_644 ?
O16 P2 O2 117.0(14) 37_543 43_644 ?
O2 P2 O2 101.0(17) 46_544 43_644 ?
O2 P2 O2 79.0(17) 10_554 43_644 ?
O2 P2 O2 101.0(17) 37_543 43_644 ?
O16 P2 O2 117.0(14) . 7_454 ?
O16 P2 O2 63.0(14) 37_543 7_454 ?
O2 P2 O2 79.0(17) 46_544 7_454 ?
O2 P2 O2 101.0(17) 10_554 7_454 ?
O2 P2 O2 79.0(17) 37_543 7_454 ?
O2 P2 O2 180(2) 43_644 7_454 ?
O16 P2 O2 117.0(14) . . ?
O16 P2 O2 63.0(14) 37_543 . ?
O2 P2 O2 79.0(17) 46_544 . ?
O2 P2 O2 101.0(17) 10_554 . ?
O2 P2 O2 180(2) 37_543 . ?
O2 P2 O2 79.0(17) 43_644 . ?
O2 P2 O2 101.0(17) 7_454 . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         4.667
_refine_diff_density_min         -3.057
_refine_diff_density_rms         0.324
####################################################################### 
# 
# 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_l_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1895050'
loop_
_audit_author_name
_audit_author_address
'Yamin Li'
;Henan University
China
;
_audit_update_record             
;
2019-02-01 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H17 Ag3 Mo12 N14 O41.50 P'
_chemical_formula_weight         2599.32

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'
Ag Ag -0.8971 1.1015 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/n  '

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

_cell_length_a                   11.861(3)
_cell_length_b                   20.437(6)
_cell_length_c                   22.536(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.471(4)
_cell_angle_gamma                90.00
_cell_volume                     5453(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9456
_cell_measurement_theta_min      0.986
_cell_measurement_theta_max      25.00

_exptl_crystal_description       block
_exptl_crystal_colour            'golden yellow'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.166
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4860
_exptl_absorpt_coefficient_mu    3.853
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.463
_exptl_absorpt_correction_T_max  0.481
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex-II CCD detector diffractometer'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37782
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             9456
_reflns_number_gt                8979
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0284P)²+21.5563P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9456
_refine_ls_number_parameters     804
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_ref         0.0778
_refine_ls_wR_factor_gt          0.0757
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_restrained_S_all      1.148
_refine_ls_shift/su_max          0.002
_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
Ag1 Ag 0.0000 1.5000 -0.5000 0.03454(17) Uani 1 2 d S . .
Ag2 Ag -0.05424(4) 1.19482(3) -0.46624(2) 0.03642(13) Uani 1 1 d . . .
Ag3 Ag -0.5000 1.0000 -0.5000 0.0486(2) Uani 1 2 d S . .
Ag4 Ag 0.44137(4) 1.32376(3) -0.52348(3) 0.04642(15) Uani 1 1 d . . .
Mo1 Mo 0.22508(4) 1.50232(2) -0.24157(2) 0.02093(11) Uani 1 1 d . . .
Mo2 Mo 0.31983(4) 1.65722(3) -0.16817(2) 0.02395(12) Uani 1 1 d . . .
Mo3 Mo -0.01956(4) 1.50062(3) -0.32980(2) 0.02395(12) Uani 1 1 d . . .
Mo4 Mo -0.20306(4) 1.65919(3) -0.18109(2) 0.02897(13) Uani 1 1 d . . .
Mo5 Mo 0.30743(4) 1.64539(3) -0.33366(2) 0.02433(12) Uani 1 1 d . . .
Mo6 Mo 0.15405(4) 1.78660(2) -0.33384(2) 0.02279(12) Uani 1 1 d . . .
Mo7 Mo 0.07542(5) 1.65074(3) -0.09404(2) 0.02705(13) Uani 1 1 d . . .
Mo8 Mo -0.21351(4) 1.64528(3) -0.33116(2) 0.02624(12) Uani 1 1 d . . .
Mo9 Mo -0.03304(5) 1.50510(3) -0.17876(2) 0.02650(12) Uani 1 1 d . . .
Mo10 Mo 0.05056(4) 1.65324(3) -0.41150(2) 0.02370(12) Uani 1 1 d . . .
Mo11 Mo 0.14255(4) 1.78946(2) -0.16936(2) 0.02309(12) Uani 1 1 d . . .
Mo12 Mo -0.12358(5) 1.78916(3) -0.26532(2) 0.02758(12) Uani 1 1 d . . .
P1 P 0.05663(11) 1.64820(7) -0.25304(6) 0.0155(3) Uani 1 1 d . . .
O1 O 0.0535(4) 1.6405(2) -0.02118(18) 0.0373(11) Uani 1 1 d . . .
O2 O 0.0267(4) 1.6418(2) -0.48535(17) 0.0334(10) Uani 1 1 d . . .
O3 O 0.1784(4) 1.8634(2) -0.14154(18) 0.0318(10) Uani 1 1 d . . .
O4 O 0.0978(3) 1.7452(2) -0.09993(17) 0.0263(9) Uani 1 1 d . . .
O5 O 0.1838(3) 1.79631(19) -0.25154(16) 0.0234(9) Uani 1 1 d . . .
O6 O 0.1858(4) 1.8598(2) -0.36198(18) 0.0317(10) Uani 1 1 d . . .
O7 O 0.2769(3) 1.56264(19) -0.30403(17) 0.0237(9) Uani 1 1 d . . .
O8 O -0.1497(3) 1.5619(2) -0.32819(17) 0.0252(9) Uani 1 1 d . . .
O9 O 0.1204(3) 1.67442(18) -0.19617(15) 0.0181(8) Uani 1 1 d . . .
O10 O -0.0063(3) 1.7996(2) -0.20017(17) 0.0272(9) Uani 1 1 d . . .
O11 O 0.0913(3) 1.74203(18) -0.40602(16) 0.0229(9) Uani 1 1 d . . .
O12 O 0.0371(3) 1.56308(19) -0.38234(16) 0.0232(9) Uani 1 1 d . . .
O13 O 0.2895(3) 1.74513(19) -0.15431(17) 0.0242(9) Uani 1 1 d . . .
O14 O -0.1487(3) 1.5659(2) -0.18432(17) 0.0271(9) Uani 1 1 d . . .
O15 O 0.2888(3) 1.74020(19) -0.34328(17) 0.0244(9) Uani 1 1 d . . .
O16 O -0.0660(3) 1.67346(19) -0.25606(15) 0.0188(8) Uani 1 1 d . . .
O17 O 0.1151(3) 1.67231(18) -0.30802(15) 0.0171(8) Uani 1 1 d . . .
O18 O 0.2151(3) 1.63487(19) -0.40339(17) 0.0248(9) Uani 1 1 d . . .
O19 O 0.0455(3) 1.5644(2) -0.12293(17) 0.0263(9) Uani 1 1 d . . .
O20 O -0.0931(3) 1.6663(2) -0.38545(17) 0.0252(9) Uani 1 1 d . . .
O21 O 0.2307(3) 1.6393(2) -0.09619(16) 0.0247(9) Uani 1 1 d . . .
O22 O 0.2806(3) 1.56589(19) -0.18735(17) 0.0240(9) Uani 1 1 d . . .
O23 O -0.0793(3) 1.6689(2) -0.12569(17) 0.0274(9) Uani 1 1 d . . .
O24 O 0.4367(4) 1.6366(2) -0.3589(2) 0.0358(11) Uani 1 1 d . . .
O25 O 0.1240(4) 1.46771(19) -0.30824(17) 0.0259(9) Uani 1 1 d . . .
O26 O -0.2107(3) 1.7470(2) -0.20187(17) 0.0309(10) Uani 1 1 d . . .
O27 O -0.2167(3) 1.7413(2) -0.31975(18) 0.0296(10) Uani 1 1 d . . .
O28 O 0.0561(3) 1.57285(18) -0.25176(15) 0.0180(8) Uani 1 1 d . . .
O29 O 0.3423(3) 1.66761(19) -0.24764(18) 0.0245(9) Uani 1 1 d . . .
O30 O -0.0063(3) 1.7976(2) -0.31611(17) 0.0282(9) Uani 1 1 d . . .
O31 O -0.3257(4) 1.6356(2) -0.37971(19) 0.0356(11) Uani 1 1 d . . .
O32 O 0.4500(4) 1.6482(2) -0.1347(2) 0.0340(10) Uani 1 1 d . . .
O33 O 0.1225(3) 1.46925(19) -0.19012(17) 0.0264(9) Uani 1 1 d . . .
O34 O -0.0732(4) 1.4443(2) -0.37844(19) 0.0336(10) Uani 1 1 d . . .
O35 O -0.2798(3) 1.6378(2) -0.25806(18) 0.0318(10) Uani 1 1 d . . .
O36 O -0.0802(4) 1.4484(2) -0.1317(2) 0.0374(11) Uani 1 1 d . . .
O37 O -0.0713(3) 1.4681(2) -0.25440(18) 0.0274(9) Uani 1 1 d . . .
O38 O -0.3109(4) 1.6502(3) -0.13668(19) 0.0410(12) Uani 1 1 d . . .
O39 O 0.3295(4) 1.4468(2) -0.23918(19) 0.0311(10) Uani 1 1 d . . .
O40 O -0.1851(4) 1.8634(2) -0.2683(2) 0.0371(11) Uani 1 1 d . . .
N1 N -0.3302(4) 1.0308(3) -0.5121(2) 0.0347(13) Uani 1 1 d . . .
N2 N 0.1226(4) 1.2179(3) -0.4991(2) 0.0274(11) Uani 1 1 d . . .
N3 N 0.0112(4) 1.1103(2) -0.5385(2) 0.0224(10) Uani 1 1 d . . .
N4 N -0.1811(5) 1.0948(3) -0.4871(3) 0.0455(16) Uani 1 1 d . . .
N5 N 0.2872(4) 1.2593(3) -0.5277(2) 0.0310(12) Uani 1 1 d . . .
N6 N 0.1685(4) 1.1779(2) -0.5402(2) 0.0252(11) Uani 1 1 d . . .
N7 N -0.1556(4) 1.0532(2) -0.5316(2) 0.0236(10) Uani 1 1 d . . .
N8 N 0.5164(4) 1.4017(2) -0.4443(2) 0.0238(10) Uani 1 1 d . . .
N9 N 0.6245(4) 1.3001(3) -0.4903(2) 0.0303(12) Uani 1 1 d . . .
N10 N 0.3548(4) 1.4646(2) -0.4553(2) 0.0222(10) Uani 1 1 d . . .
N11 N 0.1802(4) 1.4859(3) -0.4857(2) 0.0303(12) Uani 1 1 d . . .
N12 N 0.3508(5) 1.4552(3) -0.5150(2) 0.0430(15) Uani 1 1 d . . .
N13 N 0.6721(4) 1.3332(2) -0.4417(2) 0.0254(11) Uani 1 1 d . . .
N14 N 0.7941(4) 1.2583(3) -0.4631(2) 0.0285(12) Uani 1 1 d . . .
C1 C -0.2860(6) 1.0794(4) -0.4768(3) 0.048(2) Uani 1 1 d . . .
H1A H -0.3263 1.0999 -0.4480 0.057 Uiso 1 1 calc R . .
C2 C -0.2464(5) 1.0160(3) -0.5458(3) 0.0333(15) Uani 1 1 d . . .
H2A H -0.2500 0.9842 -0.5754 0.040 Uiso 1 1 calc R . .
C3 C -0.0476(5) 1.0584(3) -0.5568(2) 0.0223(12) Uani 1 1 d . . .
C4 C -0.0115(6) 1.0124(3) -0.5965(3) 0.0364(16) Uani 1 1 d . . .
H4A H -0.0554 0.9764 -0.6081 0.044 Uiso 1 1 calc R . .
C5 C 0.0944(6) 1.0233(4) -0.6181(3) 0.0403(17) Uani 1 1 d . . .
H5A H 0.1233 0.9936 -0.6444 0.048 Uiso 1 1 calc R . .
C6 C 0.1575(6) 1.0781(3) -0.6007(3) 0.0361(16) Uani 1 1 d . . .
H6A H 0.2277 1.0863 -0.6154 0.043 Uiso 1 1 calc R . .
C7 C 0.1113(5) 1.1197(3) -0.5607(2) 0.0233(12) Uani 1 1 d . . .
C8 C 0.2664(5) 1.2045(3) -0.5563(3) 0.0301(14) Uani 1 1 d . . .
H8A H 0.3125 1.1864 -0.5839 0.036 Uiso 1 1 calc R . .
C9 C 0.1968(5) 1.2652(3) -0.4930(3) 0.0323(14) Uani 1 1 d . . .
H9A H 0.1889 1.3001 -0.4671 0.039 Uiso 1 1 calc R . .
C10 C 0.4584(5) 1.4498(3) -0.4210(2) 0.0213(12) Uani 1 1 d . . .
C11 C 0.4911(5) 1.4830(3) -0.3687(3) 0.0301(14) Uani 1 1 d . . .
H11A H 0.4471 1.5163 -0.3541 0.036 Uiso 1 1 calc R . .
C12 C 0.5921(6) 1.4643(3) -0.3397(3) 0.0335(15) Uani 1 1 d . . .
H12A H 0.6168 1.4848 -0.3044 0.040 Uiso 1 1 calc R . .
C13 C 0.6564(5) 1.4151(3) -0.3629(3) 0.0272(13) Uani 1 1 d . . .
H13A H 0.7251 1.4022 -0.3445 0.033 Uiso 1 1 calc R . .
C14 C 0.6130(5) 1.3859(3) -0.4149(2) 0.0233(12) Uani 1 1 d . . .
C15 C 0.7739(5) 1.3069(3) -0.4268(3) 0.0336(15) Uani 1 1 d . . .
H15A H 0.8228 1.3210 -0.3956 0.040 Uiso 1 1 calc R . .
C16 C 0.2528(5) 1.4832(3) -0.4385(3) 0.0282(14) Uani 1 1 d . . .
H16A H 0.2356 1.4927 -0.3997 0.034 Uiso 1 1 calc R . .
C17 C 0.2453(6) 1.4690(4) -0.5309(3) 0.0410(17) Uani 1 1 d . . .
H17A H 0.2170 1.4673 -0.5703 0.049 Uiso 1 1 calc R . .
C18 C 0.7008(6) 1.2563(3) -0.5008(3) 0.0350(15) Uani 1 1 d . . .
H18A H 0.6918 1.2262 -0.5316 0.042 Uiso 1 1 calc R . .
O1W O 0.5115(11) 1.1949(6) -0.6084(6) 0.175(5) Uiso 1 1 d . . .
O2W O 0.971(2) 1.3071(12) -0.3236(10) 0.155(8) Uiso 0.50 1 d 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
Ag1 N11 2.161(5) . ?
Ag1 N11 2.161(5) 3_584 ?
Ag2 N14 2.222(5) 1_455 ?
Ag2 N2 2.315(5) . ?
Ag2 N3 2.528(5) . ?
Ag2 N4 2.564(6) . ?
Ag3 N1 2.143(5) 3_474 ?
Ag3 N1 2.143(5) . ?
Ag4 N5 2.251(5) . ?
Ag4 N9 2.305(5) . ?
Ag4 N8 2.514(5) . ?
Mo1 O39 1.678(4) . ?
Mo1 O33 1.858(4) . ?
Mo1 O22 1.876(4) . ?
Mo1 O25 1.994(4) . ?
Mo1 O7 1.996(4) . ?
Mo1 O28 2.468(4) . ?
Mo2 O32 1.687(4) . ?
Mo2 O29 1.839(4) . ?
Mo2 O13 1.863(4) . ?
Mo2 O22 1.965(4) . ?
Mo2 O21 2.023(4) . ?
Mo2 O9 2.436(4) . ?
Mo3 O34 1.687(4) . ?
Mo3 O25 1.868(4) . ?
Mo3 O12 1.892(4) . ?
Mo3 O37 1.957(4) . ?
Mo3 O8 1.990(4) . ?
Mo3 O28 2.426(4) . ?
Mo4 O38 1.681(4) . ?
Mo4 O26 1.856(5) . ?
Mo4 O23 1.879(4) . ?
Mo4 O35 1.959(4) . ?
Mo4 O14 2.016(4) . ?
Mo4 O16 2.432(4) . ?
Mo5 O24 1.677(4) . ?
Mo5 O7 1.862(4) . ?
Mo5 O18 1.872(4) . ?
Mo5 O15 1.961(4) . ?
Mo5 O29 2.009(4) . ?
Mo5 O17 2.449(4) . ?
Mo6 O6 1.676(4) . ?
Mo6 O5 1.877(4) . ?
Mo6 O15 1.882(4) . ?
Mo6 O11 1.970(4) . ?
Mo6 O30 1.980(4) . ?
Mo6 O17 2.458(4) . ?
Mo7 O1 1.691(4) . ?
Mo7 O21 1.860(4) . ?
Mo7 O19 1.907(4) . ?
Mo7 O4 1.954(4) . ?
Mo7 O23 1.964(4) . ?
Mo7 O9 2.442(4) . ?
Mo8 O31 1.683(4) . ?
Mo8 O8 1.864(4) . ?
Mo8 O35 1.874(4) . ?
Mo8 O27 1.981(4) . ?
Mo8 O20 1.983(4) . ?
Mo8 O16 2.428(4) . ?
Mo9 O36 1.688(4) . ?
Mo9 O14 1.849(4) . ?
Mo9 O37 1.895(4) . ?
Mo9 O19 1.943(4) . ?
Mo9 O33 2.015(4) . ?
Mo9 O28 2.440(4) . ?
Mo10 O2 1.688(4) . ?
Mo10 O20 1.855(4) . ?
Mo10 O11 1.880(4) . ?
Mo10 O12 1.966(4) . ?
Mo10 O18 1.985(4) . ?
Mo10 O17 2.441(4) . ?
Mo11 O3 1.681(4) . ?
Mo11 O10 1.870(4) . ?
Mo11 O4 1.910(4) . ?
Mo11 O5 1.949(4) . ?
Mo11 O13 1.975(4) . ?
Mo11 O9 2.438(4) . ?
Mo12 O40 1.683(4) . ?
Mo12 O30 1.862(4) . ?
Mo12 O27 1.875(4) . ?
Mo12 O10 1.972(4) . ?
Mo12 O26 2.008(4) . ?
Mo12 O16 2.466(4) . ?
P1 O17 1.537(4) . ?
P1 O28 1.540(4) . ?
P1 O16 1.542(4) . ?
P1 O9 1.544(4) . ?
N1 C2 1.323(8) . ?
N1 C1 1.357(8) . ?
N2 C9 1.310(8) . ?
N2 N6 1.372(7) . ?
N3 C3 1.322(7) . ?
N3 C7 1.330(7) . ?
N4 C1 1.318(8) . ?
N4 N7 1.364(7) . ?
N5 C8 1.308(8) . ?
N5 C9 1.370(8) . ?
N6 C8 1.351(8) . ?
N6 C7 1.433(8) . ?
N7 C2 1.341(8) . ?
N7 C3 1.435(7) . ?
N8 C10 1.327(7) . ?
N8 C14 1.329(7) . ?
N9 C18 1.304(8) . ?
N9 N13 1.379(7) . ?
N10 C16 1.344(7) . ?
N10 N12 1.357(7) . ?
N10 C10 1.444(7) . ?
N11 C16 1.329(8) . ?
N11 C17 1.359(8) . ?
N12 C17 1.311(9) . ?
N13 C15 1.345(8) . ?
N13 C14 1.437(7) . ?
N14 C15 1.317(8) . ?
N14 C18 1.355(8) . ?
N14 Ag2 2.222(5) 1_655 ?
C1 H1A 0.9300 . ?
C2 H2A 0.9300 . ?
C3 C4 1.383(8) . ?
C4 C5 1.392(9) . ?
C4 H4A 0.9300 . ?
C5 C6 1.390(10) . ?
C5 H5A 0.9300 . ?
C6 C7 1.376(9) . ?
C6 H6A 0.9300 . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
C10 C11 1.394(8) . ?
C11 C12 1.384(9) . ?
C11 H11A 0.9300 . ?
C12 C13 1.384(9) . ?
C12 H12A 0.9300 . ?
C13 C14 1.387(8) . ?
C13 H13A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
C18 H18A 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
N11 Ag1 N11 180.0 . 3_584 ?
N14 Ag2 N2 129.96(19) 1_455 . ?
N14 Ag2 N3 134.44(17) 1_455 . ?
N2 Ag2 N3 67.25(17) . . ?
N14 Ag2 N4 90.3(2) 1_455 . ?
N2 Ag2 N4 129.53(17) . . ?
N3 Ag2 N4 62.42(16) . . ?
N1 Ag3 N1 179.998(1) 3_474 . ?
N5 Ag4 N9 129.62(19) . . ?
N5 Ag4 N8 130.75(18) . . ?
N9 Ag4 N8 67.47(16) . . ?
O39 Mo1 O33 104.15(19) . . ?
O39 Mo1 O22 102.57(19) . . ?
O33 Mo1 O22 93.61(18) . . ?
O39 Mo1 O25 101.16(19) . . ?
O33 Mo1 O25 87.40(18) . . ?
O22 Mo1 O25 155.23(17) . . ?
O39 Mo1 O7 100.47(19) . . ?
O33 Mo1 O7 154.95(17) . . ?
O22 Mo1 O7 85.44(16) . . ?
O25 Mo1 O7 83.36(16) . . ?
O39 Mo1 O28 172.53(17) . . ?
O33 Mo1 O28 73.24(15) . . ?
O22 Mo1 O28 84.68(15) . . ?
O25 Mo1 O28 71.90(14) . . ?
O7 Mo1 O28 81.76(14) . . ?
O32 Mo2 O29 105.4(2) . . ?
O32 Mo2 O13 102.23(19) . . ?
O29 Mo2 O13 95.33(17) . . ?
O32 Mo2 O22 101.07(19) . . ?
O29 Mo2 O22 86.66(17) . . ?
O13 Mo2 O22 155.15(17) . . ?
O32 Mo2 O21 97.5(2) . . ?
O29 Mo2 O21 156.29(17) . . ?
O13 Mo2 O21 85.68(17) . . ?
O22 Mo2 O21 82.87(16) . . ?
O32 Mo2 O9 168.38(18) . . ?
O29 Mo2 O9 85.80(15) . . ?
O13 Mo2 O9 73.12(15) . . ?
O22 Mo2 O9 82.36(15) . . ?
O21 Mo2 O9 71.79(14) . . ?
O34 Mo3 O25 103.0(2) . . ?
O34 Mo3 O12 100.82(19) . . ?
O25 Mo3 O12 93.02(17) . . ?
O34 Mo3 O37 101.94(19) . . ?
O25 Mo3 O37 88.91(18) . . ?
O12 Mo3 O37 156.09(17) . . ?
O34 Mo3 O8 100.3(2) . . ?
O25 Mo3 O8 156.64(17) . . ?
O12 Mo3 O8 83.80(17) . . ?
O37 Mo3 O8 85.03(17) . . ?
O34 Mo3 O28 173.94(18) . . ?
O25 Mo3 O28 74.88(15) . . ?
O12 Mo3 O28 85.02(14) . . ?
O37 Mo3 O28 72.48(14) . . ?
O8 Mo3 O28 81.78(14) . . ?
O38 Mo4 O26 103.3(2) . . ?
O38 Mo4 O23 102.0(2) . . ?
O26 Mo4 O23 95.12(19) . . ?
O38 Mo4 O35 100.0(2) . . ?
O26 Mo4 O35 88.81(19) . . ?
O23 Mo4 O35 156.11(17) . . ?
O38 Mo4 O14 100.0(2) . . ?
O26 Mo4 O14 156.44(16) . . ?
O23 Mo4 O14 83.44(17) . . ?
O35 Mo4 O14 83.65(18) . . ?
O38 Mo4 O16 172.43(18) . . ?
O26 Mo4 O16 74.51(15) . . ?
O23 Mo4 O16 85.46(15) . . ?
O35 Mo4 O16 72.88(15) . . ?
O14 Mo4 O16 81.94(14) . . ?
O24 Mo5 O7 103.04(19) . . ?
O24 Mo5 O18 101.7(2) . . ?
O7 Mo5 O18 94.60(17) . . ?
O24 Mo5 O15 99.66(19) . . ?
O7 Mo5 O15 156.11(16) . . ?
O18 Mo5 O15 87.97(17) . . ?
O24 Mo5 O29 102.2(2) . . ?
O7 Mo5 O29 83.82(16) . . ?
O18 Mo5 O29 155.69(16) . . ?
O15 Mo5 O29 84.18(16) . . ?
O24 Mo5 O17 171.05(17) . . ?
O7 Mo5 O17 85.14(15) . . ?
O18 Mo5 O17 73.63(14) . . ?
O15 Mo5 O17 72.78(14) . . ?
O29 Mo5 O17 82.06(14) . . ?
O6 Mo6 O5 104.26(19) . . ?
O6 Mo6 O15 101.3(2) . . ?
O5 Mo6 O15 93.15(17) . . ?
O6 Mo6 O11 100.51(18) . . ?
O5 Mo6 O11 154.60(16) . . ?
O15 Mo6 O11 87.40(17) . . ?
O6 Mo6 O30 102.5(2) . . ?
O5 Mo6 O30 85.05(17) . . ?
O15 Mo6 O30 155.90(17) . . ?
O11 Mo6 O30 84.23(17) . . ?
O6 Mo6 O17 170.87(17) . . ?
O5 Mo6 O17 83.87(14) . . ?
O15 Mo6 O17 73.80(14) . . ?
O11 Mo6 O17 71.89(13) . . ?
O30 Mo6 O17 82.13(15) . . ?
O1 Mo7 O21 102.7(2) . . ?
O1 Mo7 O19 100.4(2) . . ?
O21 Mo7 O19 92.22(18) . . ?
O1 Mo7 O4 102.6(2) . . ?
O21 Mo7 O4 89.09(18) . . ?
O19 Mo7 O4 156.10(16) . . ?
O1 Mo7 O23 100.4(2) . . ?
O21 Mo7 O23 156.84(16) . . ?
O19 Mo7 O23 84.30(18) . . ?
O4 Mo7 O23 85.18(18) . . ?
O1 Mo7 O9 174.18(18) . . ?
O21 Mo7 O9 74.18(14) . . ?
O19 Mo7 O9 84.75(15) . . ?
O4 Mo7 O9 72.66(14) . . ?
O23 Mo7 O9 82.70(14) . . ?
O31 Mo8 O8 102.7(2) . . ?
O31 Mo8 O35 101.8(2) . . ?
O8 Mo8 O35 94.89(18) . . ?
O31 Mo8 O27 100.4(2) . . ?
O8 Mo8 O27 155.81(17) . . ?
O35 Mo8 O27 87.38(19) . . ?
O31 Mo8 O20 101.26(19) . . ?
O8 Mo8 O20 85.05(17) . . ?
O35 Mo8 O20 156.36(17) . . ?
O27 Mo8 O20 83.44(17) . . ?
O31 Mo8 O16 171.51(18) . . ?
O8 Mo8 O16 85.29(15) . . ?
O35 Mo8 O16 74.30(15) . . ?
O27 Mo8 O16 72.12(15) . . ?
O20 Mo8 O16 82.15(14) . . ?
O36 Mo9 O14 103.3(2) . . ?
O36 Mo9 O37 102.8(2) . . ?
O14 Mo9 O37 94.04(18) . . ?
O36 Mo9 O19 100.7(2) . . ?
O14 Mo9 O19 87.12(18) . . ?
O37 Mo9 O19 155.58(16) . . ?
O36 Mo9 O33 99.9(2) . . ?
O14 Mo9 O33 156.43(17) . . ?
O37 Mo9 O33 84.95(17) . . ?
O19 Mo9 O33 84.41(17) . . ?
O36 Mo9 O28 170.55(19) . . ?
O14 Mo9 O28 85.60(15) . . ?
O37 Mo9 O28 73.12(14) . . ?
O19 Mo9 O28 82.67(14) . . ?
O33 Mo9 O28 71.53(14) . . ?
O2 Mo10 O20 103.3(2) . . ?
O2 Mo10 O11 103.07(19) . . ?
O20 Mo10 O11 94.48(18) . . ?
O2 Mo10 O12 100.79(19) . . ?
O20 Mo10 O12 86.23(17) . . ?
O11 Mo10 O12 155.28(16) . . ?
O2 Mo10 O18 99.8(2) . . ?
O20 Mo10 O18 156.20(16) . . ?
O11 Mo10 O18 85.93(17) . . ?
O12 Mo10 O18 83.75(16) . . ?
O2 Mo10 O17 171.28(18) . . ?
O20 Mo10 O17 85.17(15) . . ?
O11 Mo10 O17 73.66(14) . . ?
O12 Mo10 O17 81.80(14) . . ?
O18 Mo10 O17 72.09(14) . . ?
O3 Mo11 O10 104.5(2) . . ?
O3 Mo11 O4 101.35(19) . . ?
O10 Mo11 O4 93.05(18) . . ?
O3 Mo11 O5 102.56(19) . . ?
O10 Mo11 O5 85.68(17) . . ?
O4 Mo11 O5 155.59(17) . . ?
O3 Mo11 O13 98.51(19) . . ?
O10 Mo11 O13 156.66(17) . . ?
O4 Mo11 O13 85.89(17) . . ?
O5 Mo11 O13 85.80(16) . . ?
O3 Mo11 O9 168.70(18) . . ?
O10 Mo11 O9 85.94(15) . . ?
O4 Mo11 O9 73.45(14) . . ?
O5 Mo11 O9 82.14(14) . . ?
O13 Mo11 O9 71.39(14) . . ?
O40 Mo12 O30 103.4(2) . . ?
O40 Mo12 O27 102.0(2) . . ?
O30 Mo12 O27 94.49(18) . . ?
O40 Mo12 O10 102.5(2) . . ?
O30 Mo12 O10 85.89(18) . . ?
O27 Mo12 O10 154.72(18) . . ?
O40 Mo12 O26 100.0(2) . . ?
O30 Mo12 O26 155.89(17) . . ?
O27 Mo12 O26 86.23(18) . . ?
O10 Mo12 O26 83.45(17) . . ?
O40 Mo12 O16 169.93(19) . . ?
O30 Mo12 O16 85.82(15) . . ?
O27 Mo12 O16 72.81(15) . . ?
O10 Mo12 O16 82.02(15) . . ?
O26 Mo12 O16 71.34(14) . . ?
O17 P1 O28 109.8(2) . . ?
O17 P1 O16 109.1(2) . . ?
O28 P1 O16 109.3(2) . . ?
O17 P1 O9 109.6(2) . . ?
O28 P1 O9 109.5(2) . . ?
O16 P1 O9 109.5(2) . . ?
Mo11 O4 Mo7 124.7(2) . . ?
Mo6 O5 Mo11 152.7(2) . . ?
Mo5 O7 Mo1 152.7(2) . . ?
Mo8 O8 Mo3 152.7(2) . . ?
P1 O9 Mo2 125.7(2) . . ?
P1 O9 Mo11 125.5(2) . . ?
Mo2 O9 Mo11 89.23(12) . . ?
P1 O9 Mo7 126.1(2) . . ?
Mo2 O9 Mo7 89.51(12) . . ?
Mo11 O9 Mo7 89.09(12) . . ?
Mo11 O10 Mo12 150.8(2) . . ?
Mo10 O11 Mo6 125.68(19) . . ?
Mo3 O12 Mo10 151.7(2) . . ?
Mo2 O13 Mo11 126.3(2) . . ?
Mo9 O14 Mo4 150.5(2) . . ?
Mo6 O15 Mo5 125.2(2) . . ?
P1 O16 Mo8 126.1(2) . . ?
P1 O16 Mo4 126.7(2) . . ?
Mo8 O16 Mo4 88.41(12) . . ?
P1 O16 Mo12 125.5(2) . . ?
Mo8 O16 Mo12 89.11(12) . . ?
Mo4 O16 Mo12 88.89(12) . . ?
P1 O17 Mo10 126.0(2) . . ?
P1 O17 Mo5 126.2(2) . . ?
Mo10 O17 Mo5 88.94(11) . . ?
P1 O17 Mo6 126.6(2) . . ?
Mo10 O17 Mo6 88.75(11) . . ?
Mo5 O17 Mo6 88.09(12) . . ?
Mo5 O18 Mo10 125.3(2) . . ?
Mo7 O19 Mo9 150.5(2) . . ?
Mo10 O20 Mo8 150.9(2) . . ?
Mo7 O21 Mo2 124.4(2) . . ?
Mo1 O22 Mo2 150.5(2) . . ?
Mo4 O23 Mo7 153.7(2) . . ?
Mo3 O25 Mo1 124.4(2) . . ?
Mo4 O26 Mo12 125.1(2) . . ?
Mo12 O27 Mo8 125.9(2) . . ?
P1 O28 Mo3 126.6(2) . . ?
P1 O28 Mo9 125.6(2) . . ?
Mo3 O28 Mo9 89.26(12) . . ?
P1 O28 Mo1 125.6(2) . . ?
Mo3 O28 Mo1 88.55(12) . . ?
Mo9 O28 Mo1 89.34(12) . . ?
Mo2 O29 Mo5 151.6(2) . . ?
Mo12 O30 Mo6 151.2(2) . . ?
Mo1 O33 Mo9 125.9(2) . . ?
Mo8 O35 Mo4 124.3(2) . . ?
Mo9 O37 Mo3 125.1(2) . . ?
C2 N1 C1 103.1(5) . . ?
C2 N1 Ag3 138.7(4) . . ?
C1 N1 Ag3 118.2(4) . . ?
C9 N2 N6 102.6(5) . . ?
C9 N2 Ag2 137.1(4) . . ?
N6 N2 Ag2 120.0(4) . . ?
C3 N3 C7 117.7(5) . . ?
C3 N3 Ag2 124.9(4) . . ?
C7 N3 Ag2 117.4(4) . . ?
C1 N4 N7 103.5(5) . . ?
C1 N4 Ag2 135.1(5) . . ?
N7 N4 Ag2 118.6(4) . . ?
C8 N5 C9 103.1(5) . . ?
C8 N5 Ag4 130.6(4) . . ?
C9 N5 Ag4 125.8(4) . . ?
C8 N6 N2 108.9(5) . . ?
C8 N6 C7 130.2(5) . . ?
N2 N6 C7 120.8(5) . . ?
C2 N7 N4 108.6(5) . . ?
C2 N7 C3 132.1(5) . . ?
N4 N7 C3 119.2(5) . . ?
C10 N8 C14 115.8(5) . . ?
C10 N8 Ag4 125.5(4) . . ?
C14 N8 Ag4 117.2(4) . . ?
C18 N9 N13 103.0(5) . . ?
C18 N9 Ag4 137.4(5) . . ?
N13 N9 Ag4 119.1(4) . . ?
C16 N10 N12 109.9(5) . . ?
C16 N10 C10 131.3(5) . . ?
N12 N10 C10 118.6(5) . . ?
C16 N11 C17 102.6(5) . . ?
C16 N11 Ag1 135.4(4) . . ?
C17 N11 Ag1 121.6(4) . . ?
C17 N12 N10 102.5(5) . . ?
C15 N13 N9 108.6(5) . . ?
C15 N13 C14 130.4(5) . . ?
N9 N13 C14 121.0(5) . . ?
C15 N14 C18 103.8(5) . . ?
C15 N14 Ag2 129.7(4) . 1_655 ?
C18 N14 Ag2 126.5(4) . 1_655 ?
N4 C1 N1 114.1(6) . . ?
N4 C1 H1A 123.0 . . ?
N1 C1 H1A 123.0 . . ?
N1 C2 N7 110.7(5) . . ?
N1 C2 H2A 124.6 . . ?
N7 C2 H2A 124.6 . . ?
N3 C3 C4 124.6(5) . . ?
N3 C3 N7 113.8(5) . . ?
C4 C3 N7 121.6(5) . . ?
C3 C4 C5 116.0(6) . . ?
C3 C4 H4A 122.0 . . ?
C5 C4 H4A 122.0 . . ?
C6 C5 C4 120.8(6) . . ?
C6 C5 H5A 119.6 . . ?
C4 C5 H5A 119.6 . . ?
C7 C6 C5 116.9(6) . . ?
C7 C6 H6A 121.5 . . ?
C5 C6 H6A 121.5 . . ?
N3 C7 C6 123.9(6) . . ?
N3 C7 N6 114.5(5) . . ?
C6 C7 N6 121.6(5) . . ?
N5 C8 N6 110.6(6) . . ?
N5 C8 H8A 124.7 . . ?
N6 C8 H8A 124.7 . . ?
N2 C9 N5 114.8(6) . . ?
N2 C9 H9A 122.6 . . ?
N5 C9 H9A 122.6 . . ?
N8 C10 C11 124.8(5) . . ?
N8 C10 N10 112.8(5) . . ?
C11 C10 N10 122.4(5) . . ?
C12 C11 C10 117.0(6) . . ?
C12 C11 H11A 121.5 . . ?
C10 C11 H11A 121.5 . . ?
C13 C12 C11 120.2(6) . . ?
C13 C12 H12A 119.9 . . ?
C11 C12 H12A 119.9 . . ?
C12 C13 C14 116.6(6) . . ?
C12 C13 H13A 121.7 . . ?
C14 C13 H13A 121.7 . . ?
N8 C14 C13 125.5(5) . . ?
N8 C14 N13 113.6(5) . . ?
C13 C14 N13 120.8(5) . . ?
N14 C15 N13 110.0(6) . . ?
N14 C15 H15A 125.0 . . ?
N13 C15 H15A 125.0 . . ?
N11 C16 N10 109.7(5) . . ?
N11 C16 H16A 125.1 . . ?
N10 C16 H16A 125.1 . . ?
N12 C17 N11 115.2(6) . . ?
N12 C17 H17A 122.4 . . ?
N11 C17 H17A 122.4 . . ?
N9 C18 N14 114.5(6) . . ?
N9 C18 H18A 122.7 . . ?
N14 C18 H18A 122.7 . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         1.345
_refine_diff_density_min         -1.009
_refine_diff_density_rms         0.189
