# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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 
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data_njy1_a
_database_code_depnum_ccdc_archive 'CCDC 1940262'
loop_
_audit_author_name
_audit_author_address
'Pengtao Ma'
;Henan University
China
;
_audit_update_record             
;
2019-07-13 deposited with the CCDC.	2019-11-26 downloaded from the CCDC.
;
_audit_creation_date             2018-03-20
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C7 H5 K2 O47 P Sm W11, 3(C4 H12 N), 3(O)'
_chemical_formula_sum            'C19 H41 K2 N3 O50 P Sm W11'
_chemical_formula_weight         3393.42
_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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 '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                   12.9313(9)
_cell_length_b                   13.4857(9)
_cell_length_c                   20.2019(14)
_cell_angle_alpha                83.0200(10)
_cell_angle_beta                 78.1820(10)
_cell_angle_gamma                75.1760(10)
_cell_volume                     3324.6(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4370
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.04
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   0.108
_shelx_estimated_absorpt_T_min   0.060
_exptl_absorpt_coefficient_mu    20.059
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.3335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1236 before and 0.0438 after correction.
The Ratio of minimum to maximum transmission is 0.4472.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.390
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3010
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0742
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17377
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.100
_diffrn_reflns_theta_max         25.100
_diffrn_reflns_theta_min         1.566
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8787
_reflns_number_total             11721
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL-2018 (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_refine_diff_density_max         2.934
_refine_diff_density_min         -2.199
_refine_diff_density_rms         0.354
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         11721
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0650
_refine_ls_R_factor_gt           0.0444
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0452P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1121
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N1-C8 = N1-C9 = N1-C10 = N1-C11
 1.5 with sigma of 0.01
 N2-C12 = N2-C13 = N2-C14 = N2-C15
 1.5 with sigma of 0.01
 N3-C16 = N3-C17 = N3-C18 = N3-C19
 1.5 with sigma of 0.01
 C8-C9 \\sim C8-C10 \\sim C8-C11 \\sim C9-C10 \\sim C9-C11 \\sim C10-C11
 with sigma of 0.02
 C12-C13 \\sim C12-C14 \\sim C12-C15 \\sim C13-C14 \\sim C13-C15 \\sim C14-C15
 with sigma of 0.02
 C16-C17 \\sim C16-C18 \\sim C16-C19 \\sim C17-C18 \\sim C17-C19 \\sim C18-C19
 with sigma of 0.02
3.a Me refined with riding coordinates:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C),
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,
 H19B,H19C)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.50517(5) 0.93116(5) 0.81503(3) 0.02485(15) Uani 1 1 d . . . . .
W2 W 0.46774(4) 0.84552(5) 0.67029(3) 0.02093(14) Uani 1 1 d . . . . .
W3 W 0.46109(5) 0.69113(5) 0.82295(3) 0.02487(15) Uani 1 1 d . . . . .
W4 W 0.67379(5) 0.48496(5) 0.73524(3) 0.02402(15) Uani 1 1 d . . . . .
W5 W 0.67779(5) 0.64308(4) 0.58571(3) 0.01961(14) Uani 1 1 d . . . . .
W6 W 0.91326(5) 0.53794(4) 0.64868(3) 0.02060(14) Uani 1 1 d . . . . .
W7 W 0.71879(5) 0.58478(5) 0.88783(3) 0.02590(15) Uani 1 1 d . . . . .
W8 W 0.95863(5) 0.63709(5) 0.79897(3) 0.02298(15) Uani 1 1 d . . . . .
W9 W 0.76117(5) 0.82799(5) 0.87843(3) 0.02544(15) Uani 1 1 d . . . . .
W10 W 0.95569(4) 0.80404(4) 0.63577(3) 0.01842(13) Uani 1 1 d . . . . .
W11 W 0.75895(5) 0.99180(4) 0.71394(3) 0.02086(14) Uani 1 1 d . . . . .
Sm1 Sm 0.71659(6) 0.93138(6) 0.54118(4) 0.02052(17) Uani 1 1 d . . . . .
P1 P 0.7176(3) 0.7419(3) 0.73145(17) 0.0149(7) Uani 1 1 d . . . . .
K1 K 1.0481(3) 0.2967(3) 0.5278(2) 0.0577(12) Uani 1 1 d . . . . .
K2 K 0.8055(4) 0.4498(4) 1.0741(2) 0.0728(15) Uani 1 1 d . . . . .
N1 N 0.3272(8) 0.5547(8) 0.6192(5) 0.035(3) Uiso 1 1 d D . . . .
N2 N 1.1042(10) 0.9715(10) 0.7895(6) 0.056(4) Uiso 1 1 d D . . . .
N3 N 0.6109(14) 0.2148(14) 0.9371(9) 0.096(7) Uiso 1 1 d D . . . .
O1 O 0.4267(9) 1.0317(8) 0.8591(5) 0.041(3) Uiso 1 1 d . . . . .
O2 O 0.3555(8) 0.8812(8) 0.6312(5) 0.031(2) Uiso 1 1 d . . . . .
O3 O 0.3570(9) 0.6459(8) 0.8718(5) 0.037(3) Uiso 1 1 d . . . . .
O4 O 0.6433(9) 0.3677(8) 0.7527(5) 0.040(3) Uiso 1 1 d . . . . .
O5 O 0.6411(9) 0.6125(8) 0.5152(5) 0.038(3) Uiso 1 1 d . . . . .
O6 O 1.0260(8) 0.4505(8) 0.6100(5) 0.030(2) Uiso 1 1 d . . . . .
O7 O 0.7029(8) 0.5027(8) 0.9585(5) 0.035(3) Uiso 1 1 d . . . . .
O8 O 1.0871(8) 0.5865(8) 0.8155(5) 0.034(3) Uiso 1 1 d . . . . .
O9 O 0.7691(9) 0.8944(9) 0.9430(6) 0.043(3) Uiso 1 1 d . . . . .
O10 O 1.0904(8) 0.8008(7) 0.6075(5) 0.028(2) Uiso 1 1 d . . . . .
O11 O 0.7717(8) 1.1075(8) 0.7347(5) 0.033(3) Uiso 1 1 d . . . . .
O12 O 0.8261(8) 0.4463(8) 0.6960(5) 0.029(2) Uiso 1 1 d . . . . .
O13 O 0.7243(8) 1.0240(7) 0.6326(5) 0.025(2) Uiso 1 1 d . . . . .
O14 O 0.9491(8) 0.5490(7) 0.7352(5) 0.026(2) Uiso 1 1 d . . . . .
O15 O 0.6450(7) 0.5205(7) 0.6489(5) 0.024(2) Uiso 1 1 d . . . . .
O16 O 0.7255(8) 0.7559(7) 0.5580(5) 0.025(2) Uiso 1 1 d . . . . .
O17 O 0.5429(8) 0.5768(8) 0.7732(5) 0.029(2) Uiso 1 1 d . . . . .
O18 O 0.9069(8) 0.7435(7) 0.8619(5) 0.029(2) Uiso 1 1 d . . . . .
O19 O 0.5599(8) 0.9120(7) 0.6185(5) 0.026(2) Uiso 1 1 d . . . . .
O20 O 0.4359(8) 0.8218(7) 0.8566(5) 0.028(2) Uiso 1 1 d . . . . .
O21 O 0.5740(8) 0.6496(7) 0.8775(5) 0.028(2) Uiso 1 1 d . . . . .
O22 O 0.4039(7) 0.7538(7) 0.7478(5) 0.024(2) Uiso 1 1 d . . . . .
O23 O 0.7242(8) 0.7044(8) 0.9277(5) 0.031(2) Uiso 1 1 d . . . . .
O24 O 0.6117(8) 0.8731(7) 0.8708(5) 0.027(2) Uiso 1 1 d . . . . .
O25 O 0.7911(7) 0.9111(7) 0.8040(5) 0.025(2) Uiso 1 1 d . . . . .
O26 O 0.5427(8) 0.7175(7) 0.6340(5) 0.026(2) Uiso 1 1 d . . . . .
O27 O 0.4310(8) 0.9410(7) 0.7415(5) 0.028(2) Uiso 1 1 d . . . . .
O28 O 0.8762(8) 0.5567(7) 0.8661(5) 0.029(2) Uiso 1 1 d . . . . .
O29 O 0.9774(7) 0.7339(7) 0.7291(4) 0.021(2) Uiso 1 1 d . . . . .
O30 O 0.8958(7) 0.8564(7) 0.5638(4) 0.021(2) Uiso 1 1 d . . . . .
O31 O 0.9096(8) 0.9287(7) 0.6799(5) 0.026(2) Uiso 1 1 d . . . . .
O32 O 0.6136(7) 0.9891(7) 0.7585(5) 0.024(2) Uiso 1 1 d . . . . .
O33 O 0.7241(8) 0.5036(8) 0.8164(5) 0.031(2) Uiso 1 1 d . . . . .
O34 O 0.9482(7) 0.6666(7) 0.6212(4) 0.018(2) Uiso 1 1 d . . . . .
O35 O 0.8273(7) 0.5578(7) 0.5802(4) 0.021(2) Uiso 1 1 d . . . . .
O36 O 0.5950(7) 0.7850(7) 0.7507(4) 0.020(2) Uiso 1 1 d . . . . .
O37 O 0.7372(7) 0.6453(7) 0.6925(4) 0.019(2) Uiso 1 1 d . . . . .
O38 O 0.7631(7) 0.7107(7) 0.7976(4) 0.020(2) Uiso 1 1 d . . . . .
O39 O 0.7702(7) 0.8226(7) 0.6895(4) 0.018(2) Uiso 1 1 d . . . . .
O40 O 0.6163(8) 0.8992(8) 0.4555(5) 0.034(3) Uiso 1 1 d . . . . .
O41 O 0.7951(8) 0.8566(8) 0.4278(5) 0.033(3) Uiso 1 1 d . . . . .
C1 C 0.7021(12) 0.8605(11) 0.4151(7) 0.026(3) Uiso 1 1 d . . . . .
C2 C 0.6927(12) 0.8123(11) 0.3549(7) 0.029(3) Uiso 1 1 d . . . . .
C3 C 0.6008(15) 0.8298(14) 0.3304(9) 0.049(5) Uiso 1 1 d . . . . .
H3 H 0.539696 0.873019 0.353782 0.059 Uiso 1 1 calc R . . . .
C4 C 0.5880(16) 0.7894(15) 0.2731(10) 0.055(5) Uiso 1 1 d . . . . .
H4 H 0.521729 0.804054 0.258363 0.067 Uiso 1 1 calc R . . . .
C5 C 0.6795(16) 0.7271(15) 0.2403(10) 0.058(5) Uiso 1 1 d . . . . .
H5 H 0.675202 0.697607 0.201929 0.069 Uiso 1 1 calc R . . . .
C6 C 0.7827(17) 0.7046(16) 0.2623(10) 0.060(5) Uiso 1 1 d . . . . .
H6 H 0.843942 0.662357 0.238421 0.072 Uiso 1 1 calc R . . . .
C7 C 0.7881(14) 0.7464(13) 0.3183(8) 0.038(4) Uiso 1 1 d . . . . .
H7 H 0.853872 0.732780 0.333515 0.046 Uiso 1 1 calc R . . . .
C8 C 0.2244(9) 0.5263(11) 0.6147(7) 0.042(4) Uiso 1 1 d D . . . .
H8A H 0.235060 0.491415 0.574310 0.063 Uiso 1 1 calc R . . . .
H8B H 0.205133 0.481827 0.653665 0.063 Uiso 1 1 calc R . . . .
H8C H 0.166939 0.587465 0.613412 0.063 Uiso 1 1 calc R . . . .
C9 C 0.4172(11) 0.4599(10) 0.6200(9) 0.066(6) Uiso 1 1 d D . . . .
H9A H 0.427181 0.425717 0.579310 0.098 Uiso 1 1 calc R . . . .
H9B H 0.483229 0.478313 0.622398 0.098 Uiso 1 1 calc R . . . .
H9C H 0.399080 0.414636 0.658703 0.098 Uiso 1 1 calc R . . . .
C10 C 0.3105(14) 0.6090(13) 0.6821(7) 0.072(6) Uiso 1 1 d D . . . .
H10A H 0.252491 0.669788 0.680985 0.107 Uiso 1 1 calc R . . . .
H10B H 0.291974 0.564280 0.721038 0.107 Uiso 1 1 calc R . . . .
H10C H 0.376123 0.627957 0.684733 0.107 Uiso 1 1 calc R . . . .
C11 C 0.3558(14) 0.6246(12) 0.5580(7) 0.064(6) Uiso 1 1 d D . . . .
H11A H 0.366500 0.589477 0.517689 0.096 Uiso 1 1 calc R . . . .
H11B H 0.297708 0.685246 0.556857 0.096 Uiso 1 1 calc R . . . .
H11C H 0.421428 0.643747 0.560455 0.096 Uiso 1 1 calc R . . . .
C12 C 0.9902(11) 1.0033(15) 0.8274(9) 0.082(7) Uiso 1 1 d D . . . .
H12A H 0.942814 0.976440 0.807412 0.124 Uiso 1 1 calc R . . . .
H12B H 0.987338 0.976947 0.873915 0.124 Uiso 1 1 calc R . . . .
H12C H 0.967395 1.077029 0.825259 0.124 Uiso 1 1 calc R . . . .
C13 C 1.1368(18) 0.8569(10) 0.7905(12) 0.127(11) Uiso 1 1 d D . . . .
H13A H 1.086904 0.832860 0.770936 0.190 Uiso 1 1 calc R . . . .
H13B H 1.208906 0.835921 0.764750 0.190 Uiso 1 1 calc R . . . .
H13C H 1.135701 0.828339 0.836471 0.190 Uiso 1 1 calc R . . . .
C14 C 1.1791(16) 1.0119(18) 0.8192(11) 0.137(12) Uiso 1 1 d D . . . .
H14A H 1.156255 1.085548 0.817943 0.206 Uiso 1 1 calc R . . . .
H14B H 1.178296 0.984374 0.865418 0.206 Uiso 1 1 calc R . . . .
H14C H 1.251500 0.991956 0.793697 0.206 Uiso 1 1 calc R . . . .
C15 C 1.1073(18) 1.0121(17) 0.7165(7) 0.107(9) Uiso 1 1 d D . . . .
H15A H 1.058537 0.985635 0.697429 0.161 Uiso 1 1 calc R . . . .
H15B H 1.085458 1.085824 0.714021 0.161 Uiso 1 1 calc R . . . .
H15C H 1.179900 0.990625 0.691579 0.161 Uiso 1 1 calc R . . . .
C16 C 0.538(2) 0.1531(19) 0.9795(13) 0.140(12) Uiso 1 1 d D . . . .
H16A H 0.513780 0.178432 1.023851 0.211 Uiso 1 1 calc R . . . .
H16B H 0.475888 0.158733 0.958720 0.211 Uiso 1 1 calc R . . . .
H16C H 0.576522 0.082273 0.983330 0.211 Uiso 1 1 calc R . . . .
C17 C 0.649(3) 0.177(3) 0.8680(11) 0.27(3) Uiso 1 1 d D . . . .
H17A H 0.696314 0.217586 0.841434 0.402 Uiso 1 1 calc R . . . .
H17B H 0.688583 0.106344 0.871362 0.402 Uiso 1 1 calc R . . . .
H17C H 0.587950 0.182804 0.846752 0.402 Uiso 1 1 calc R . . . .
C18 C 0.553(3) 0.3258(14) 0.9332(18) 0.22(2) Uiso 1 1 d D . . . .
H18A H 0.528977 0.348884 0.978160 0.333 Uiso 1 1 calc R . . . .
H18B H 0.601862 0.365325 0.907427 0.333 Uiso 1 1 calc R . . . .
H18C H 0.491585 0.334582 0.911575 0.333 Uiso 1 1 calc R . . . .
C19 C 0.707(2) 0.203(3) 0.971(2) 0.41(5) Uiso 1 1 d D . . . .
H19A H 0.682939 0.227693 1.015362 0.611 Uiso 1 1 calc R . . . .
H19B H 0.745220 0.132269 0.974018 0.611 Uiso 1 1 calc R . . . .
H19C H 0.755507 0.242976 0.944333 0.611 Uiso 1 1 calc R . . . .
O1W O 0.8381(10) 1.0413(10) 0.4791(6) 0.057(3) Uiso 1 1 d . . . . .
O2W O 0.5945(8) 1.0991(8) 0.5129(5) 0.035(3) Uiso 1 1 d . . . . .
O3W O 0.9619(11) 0.0980(10) 0.5698(6) 0.060(4) Uiso 1 1 d . . . . .
O4W O 0.8298(11) 0.3516(11) 0.5486(7) 0.067(4) Uiso 1 1 d . . . . .
O5W O 0.6636(14) 1.2547(13) 0.6114(8) 0.098(5) Uiso 1 1 d . . . . .
O6W O 0.9205(12) 0.2357(11) 0.6988(7) 0.073(4) Uiso 1 1 d . . . . .
O7W O 0.9233(16) 0.3203(15) 0.8238(10) 0.121(7) Uiso 1 1 d . . . . .
O8W O 0.9420(17) 0.2581(17) 1.0475(10) 0.132(7) Uiso 1 1 d . . . . .
O9W O 0.7451(19) 0.6588(18) 1.0640(12) 0.154(9) 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
W1 O1 1.697(11) . ?
W1 O20 1.937(10) . ?
W1 O24 1.911(10) . ?
W1 O27 1.901(9) . ?
W1 O32 1.889(9) . ?
W1 O36 2.399(9) . ?
W2 O2 1.726(10) . ?
W2 O19 1.768(9) . ?
W2 O22 2.047(9) . ?
W2 O26 1.902(9) . ?
W2 O27 1.952(9) . ?
W2 O36 2.470(9) . ?
W3 O3 1.699(11) . ?
W3 O17 1.901(10) . ?
W3 O20 1.892(9) . ?
W3 O21 1.936(10) . ?
W3 O22 1.842(9) . ?
W3 O36 2.524(9) . ?
W4 O4 1.704(11) . ?
W4 O12 1.927(10) . ?
W4 O15 1.838(9) . ?
W4 O17 1.901(10) . ?
W4 O33 1.949(10) . ?
W4 O37 2.502(9) . ?
W5 K1 4.022(5) 2_766 ?
W5 O5 1.716(10) . ?
W5 O15 2.042(9) . ?
W5 O16 1.772(9) . ?
W5 O26 1.912(9) . ?
W5 O35 1.969(9) . ?
W5 O37 2.439(8) . ?
W6 K1 3.981(5) 2_766 ?
W6 K1 4.107(4) . ?
W6 O6 1.734(10) . ?
W6 O12 1.922(10) . ?
W6 O14 1.929(9) . ?
W6 O34 1.894(9) . ?
W6 O35 1.900(9) . ?
W6 O37 2.422(9) . ?
W7 O7 1.708(11) . ?
W7 O21 1.896(10) . ?
W7 O23 1.911(9) . ?
W7 O28 1.939(10) . ?
W7 O33 1.895(9) . ?
W7 O38 2.420(9) . ?
W8 O8 1.711(10) . ?
W8 O14 1.898(9) . ?
W8 O18 1.931(9) . ?
W8 O28 1.947(10) . ?
W8 O29 1.826(9) . ?
W8 O38 2.473(9) . ?
W9 O9 1.702(11) . ?
W9 O18 1.923(10) . ?
W9 O23 1.952(10) . ?
W9 O24 1.905(9) . ?
W9 O25 1.801(9) . ?
W9 O38 2.400(8) . ?
W10 K1 3.737(4) 2_766 ?
W10 O10 1.710(10) . ?
W10 O29 2.042(9) . ?
W10 O30 1.773(9) . ?
W10 O31 1.900(9) . ?
W10 O34 1.941(8) . ?
W10 O39 2.385(9) . ?
W11 O11 1.719(10) . ?
W11 O13 1.766(9) . ?
W11 O25 2.064(9) . ?
W11 O31 1.933(10) . ?
W11 O32 1.918(9) . ?
W11 O39 2.354(8) . ?
Sm1 K1 3.896(4) 2_766 ?
Sm1 O13 2.383(9) . ?
Sm1 O16 2.326(9) . ?
Sm1 O19 2.343(9) . ?
Sm1 O30 2.393(9) . ?
Sm1 O40 2.502(10) . ?
Sm1 O41 2.526(10) . ?
Sm1 C1 2.883(14) . ?
Sm1 O1W 2.484(13) . ?
Sm1 O2W 2.483(11) . ?
P1 O36 1.527(9) . ?
P1 O37 1.542(9) . ?
P1 O38 1.538(9) . ?
P1 O39 1.512(9) . ?
K1 O6 2.735(10) . ?
K1 O16 3.040(10) 2_766 ?
K1 O30 2.797(9) 2_766 ?
K1 O34 2.984(10) 2_766 ?
K1 O35 3.217(10) 2_766 ?
K1 O41 2.709(11) 2_766 ?
K1 O3W 3.119(14) . ?
K1 O4W 2.686(14) . ?
K2 O3 2.717(11) 2_667 ?
K2 O7 2.847(11) . ?
K2 O8 2.793(11) 2_767 ?
K2 O8W 2.78(2) . ?
K2 O9W 2.72(2) . ?
N1 C8 1.497(9) . ?
N1 C9 1.494(9) . ?
N1 C10 1.494(9) . ?
N1 C11 1.503(9) . ?
N2 C12 1.496(9) . ?
N2 C13 1.492(9) . ?
N2 C14 1.478(9) . ?
N2 C15 1.505(9) . ?
N3 C16 1.490(10) . ?
N3 C17 1.487(10) . ?
N3 C18 1.493(10) . ?
N3 C19 1.505(10) . ?
O40 C1 1.266(16) . ?
O41 C1 1.267(16) . ?
C1 C2 1.487(19) . ?
C2 C3 1.33(2) . ?
C2 C7 1.44(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.39(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.36(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.44(2) . ?
C6 H6 0.9300 . ?
C6 C7 1.35(2) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

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 O20 101.0(5) . . ?
O1 W1 O24 101.7(5) . . ?
O1 W1 O27 101.3(5) . . ?
O1 W1 O32 102.7(5) . . ?
O1 W1 O36 172.8(4) . . ?
O20 W1 O36 74.3(3) . . ?
O24 W1 O20 85.7(4) . . ?
O24 W1 O36 83.7(4) . . ?
O27 W1 O20 87.9(4) . . ?
O27 W1 O24 156.9(4) . . ?
O27 W1 O36 73.3(4) . . ?
O32 W1 O20 156.0(4) . . ?
O32 W1 O24 86.1(4) . . ?
O32 W1 O27 90.8(4) . . ?
O32 W1 O36 82.3(3) . . ?
O2 W2 O19 103.0(5) . . ?
O2 W2 O22 96.5(4) . . ?
O2 W2 O26 102.6(4) . . ?
O2 W2 O27 102.9(4) . . ?
O2 W2 O36 165.8(4) . . ?
O19 W2 O22 160.5(4) . . ?
O19 W2 O26 93.0(4) . . ?
O19 W2 O27 93.1(4) . . ?
O19 W2 O36 90.2(4) . . ?
O22 W2 O36 70.3(3) . . ?
O26 W2 O22 83.2(4) . . ?
O26 W2 O27 151.6(4) . . ?
O26 W2 O36 81.5(3) . . ?
O27 W2 O22 81.9(4) . . ?
O27 W2 O36 70.8(3) . . ?
O3 W3 O17 103.0(5) . . ?
O3 W3 O20 101.0(5) . . ?
O3 W3 O21 102.8(5) . . ?
O3 W3 O22 103.1(5) . . ?
O3 W3 O36 171.2(4) . . ?
O17 W3 O21 84.2(4) . . ?
O17 W3 O36 84.6(4) . . ?
O20 W3 O17 155.3(4) . . ?
O20 W3 O21 85.1(4) . . ?
O20 W3 O36 72.0(3) . . ?
O21 W3 O36 82.3(4) . . ?
O22 W3 O17 90.5(4) . . ?
O22 W3 O20 89.4(4) . . ?
O22 W3 O21 154.1(4) . . ?
O22 W3 O36 72.0(3) . . ?
O4 W4 O12 101.2(5) . . ?
O4 W4 O15 102.0(4) . . ?
O4 W4 O17 103.2(5) . . ?
O4 W4 O33 103.1(5) . . ?
O4 W4 O37 170.8(4) . . ?
O12 W4 O33 85.2(4) . . ?
O12 W4 O37 71.6(4) . . ?
O15 W4 O12 88.2(4) . . ?
O15 W4 O17 91.8(4) . . ?
O15 W4 O33 154.8(4) . . ?
O15 W4 O37 72.3(3) . . ?
O17 W4 O12 155.0(4) . . ?
O17 W4 O33 84.3(4) . . ?
O17 W4 O37 84.6(4) . . ?
O33 W4 O37 82.5(4) . . ?
O5 W5 K1 90.5(4) . 2_766 ?
O5 W5 O15 97.7(4) . . ?
O5 W5 O16 104.0(5) . . ?
O5 W5 O26 102.7(4) . . ?
O5 W5 O35 101.9(4) . . ?
O5 W5 O37 167.2(4) . . ?
O15 W5 K1 133.5(3) . 2_766 ?
O15 W5 O37 70.8(3) . . ?
O16 W5 K1 45.0(3) . 2_766 ?
O16 W5 O15 158.2(4) . . ?
O16 W5 O26 93.1(4) . . ?
O16 W5 O35 91.7(4) . . ?
O16 W5 O37 87.4(4) . . ?
O26 W5 K1 138.1(3) . 2_766 ?
O26 W5 O15 84.4(4) . . ?
O26 W5 O35 153.0(4) . . ?
O26 W5 O37 82.3(3) . . ?
O35 W5 K1 52.2(3) . 2_766 ?
O35 W5 O15 81.3(4) . . ?
O35 W5 O37 71.4(3) . . ?
O37 W5 K1 93.5(2) . 2_766 ?
K1 W6 K1 82.54(10) 2_766 . ?
O6 W6 K1 29.5(3) . . ?
O6 W6 K1 84.0(3) . 2_766 ?
O6 W6 O12 100.5(4) . . ?
O6 W6 O14 103.2(4) . . ?
O6 W6 O34 103.5(4) . . ?
O6 W6 O35 98.4(4) . . ?
O6 W6 O37 169.6(4) . . ?
O12 W6 K1 139.4(3) . 2_766 ?
O12 W6 K1 82.7(3) . . ?
O12 W6 O14 86.7(4) . . ?
O12 W6 O37 73.6(4) . . ?
O14 W6 K1 125.5(3) . . ?
O14 W6 K1 132.0(3) . 2_766 ?
O14 W6 O37 85.3(3) . . ?
O34 W6 K1 45.7(3) . 2_766 ?
O34 W6 K1 119.4(3) . . ?
O34 W6 O12 156.0(4) . . ?
O34 W6 O14 87.0(4) . . ?
O34 W6 O35 90.7(4) . . ?
O34 W6 O37 82.8(3) . . ?
O35 W6 K1 74.1(3) . . ?
O35 W6 K1 53.0(3) . 2_766 ?
O35 W6 O12 86.6(4) . . ?
O35 W6 O14 158.2(4) . . ?
O35 W6 O37 72.9(3) . . ?
O37 W6 K1 94.8(2) . 2_766 ?
O37 W6 K1 140.1(2) . . ?
O7 W7 O21 103.5(5) . . ?
O7 W7 O23 100.5(4) . . ?
O7 W7 O28 100.0(5) . . ?
O7 W7 O33 103.2(5) . . ?
O7 W7 O38 169.9(4) . . ?
O21 W7 O23 88.6(4) . . ?
O21 W7 O28 156.5(4) . . ?
O21 W7 O38 83.2(4) . . ?
O23 W7 O28 86.6(4) . . ?
O23 W7 O38 71.7(4) . . ?
O28 W7 O38 73.5(4) . . ?
O33 W7 O21 87.1(4) . . ?
O33 W7 O23 156.3(4) . . ?
O33 W7 O28 88.0(4) . . ?
O33 W7 O38 84.6(4) . . ?
O8 W8 O14 102.4(4) . . ?
O8 W8 O18 100.4(4) . . ?
O8 W8 O28 100.7(5) . . ?
O8 W8 O29 103.7(4) . . ?
O8 W8 O38 169.6(4) . . ?
O14 W8 O18 156.8(4) . . ?
O14 W8 O28 86.1(4) . . ?
O14 W8 O38 84.9(3) . . ?
O18 W8 O28 85.7(4) . . ?
O18 W8 O38 72.0(3) . . ?
O28 W8 O38 72.1(4) . . ?
O29 W8 O14 88.4(4) . . ?
O29 W8 O18 90.1(4) . . ?
O29 W8 O28 155.5(4) . . ?
O29 W8 O38 83.7(4) . . ?
O9 W9 O18 100.2(5) . . ?
O9 W9 O23 101.4(5) . . ?
O9 W9 O24 102.9(5) . . ?
O9 W9 O25 103.5(5) . . ?
O9 W9 O38 171.0(4) . . ?
O18 W9 O23 84.7(4) . . ?
O18 W9 O38 73.9(3) . . ?
O23 W9 O38 71.5(3) . . ?
O24 W9 O18 156.5(4) . . ?
O24 W9 O23 86.4(4) . . ?
O24 W9 O38 82.7(3) . . ?
O25 W9 O18 91.1(4) . . ?
O25 W9 O23 155.1(4) . . ?
O25 W9 O24 88.0(4) . . ?
O25 W9 O38 83.7(4) . . ?
O10 W10 K1 88.2(3) . 2_766 ?
O10 W10 O29 94.5(4) . . ?
O10 W10 O30 103.2(4) . . ?
O10 W10 O31 100.6(4) . . ?
O10 W10 O34 102.3(4) . . ?
O10 W10 O39 171.0(4) . . ?
O29 W10 K1 132.8(3) . 2_766 ?
O29 W10 O39 80.5(3) . . ?
O30 W10 K1 45.5(3) . 2_766 ?
O30 W10 O29 161.8(4) . . ?
O30 W10 O31 94.7(4) . . ?
O30 W10 O34 91.3(4) . . ?
O30 W10 O39 82.4(4) . . ?
O31 W10 K1 140.1(3) . 2_766 ?
O31 W10 O29 85.7(4) . . ?
O31 W10 O34 154.3(4) . . ?
O31 W10 O39 71.6(3) . . ?
O34 W10 K1 52.5(3) . 2_766 ?
O34 W10 O29 81.1(4) . . ?
O34 W10 O39 84.4(3) . . ?
O39 W10 K1 100.7(2) . 2_766 ?
O11 W11 O13 102.0(5) . . ?
O11 W11 O25 95.8(4) . . ?
O11 W11 O31 100.1(4) . . ?
O11 W11 O32 102.3(4) . . ?
O11 W11 O39 170.7(4) . . ?
O13 W11 O25 162.2(4) . . ?
O13 W11 O31 94.3(4) . . ?
O13 W11 O32 94.3(4) . . ?
O13 W11 O39 83.7(4) . . ?
O25 W11 O39 78.9(3) . . ?
O31 W11 O25 83.9(4) . . ?
O31 W11 O39 71.8(3) . . ?
O32 W11 O25 80.3(4) . . ?
O32 W11 O31 153.7(4) . . ?
O32 W11 O39 84.5(3) . . ?
O13 Sm1 K1 122.6(2) . 2_766 ?
O13 Sm1 O30 77.3(3) . . ?
O13 Sm1 O40 150.3(3) . . ?
O13 Sm1 O41 152.2(3) . . ?
O13 Sm1 C1 168.1(4) . . ?
O13 Sm1 O1W 80.8(4) . . ?
O13 Sm1 O2W 80.5(3) . . ?
O16 Sm1 K1 51.2(2) . 2_766 ?
O16 Sm1 O13 120.0(3) . . ?
O16 Sm1 O19 73.2(3) . . ?
O16 Sm1 O30 75.6(3) . . ?
O16 Sm1 O40 76.0(3) . . ?
O16 Sm1 O41 73.1(3) . . ?
O16 Sm1 C1 72.0(4) . . ?
O16 Sm1 O1W 136.0(4) . . ?
O16 Sm1 O2W 142.4(3) . . ?
O19 Sm1 K1 124.2(2) . 2_766 ?
O19 Sm1 O13 78.1(3) . . ?
O19 Sm1 O30 122.4(3) . . ?
O19 Sm1 O40 83.9(3) . . ?
O19 Sm1 O41 129.5(3) . . ?
O19 Sm1 C1 106.7(4) . . ?
O19 Sm1 O1W 150.4(4) . . ?
O19 Sm1 O2W 81.8(3) . . ?
O30 Sm1 K1 45.5(2) . 2_766 ?
O30 Sm1 O40 132.4(3) . . ?
O30 Sm1 O41 83.3(3) . . ?
O30 Sm1 C1 107.9(4) . . ?
O30 Sm1 O1W 72.0(4) . . ?
O30 Sm1 O2W 142.0(3) . . ?
O40 Sm1 K1 87.1(2) . 2_766 ?
O40 Sm1 O41 52.0(3) . . ?
O40 Sm1 C1 26.0(3) . . ?
O41 Sm1 K1 43.7(2) . 2_766 ?
O41 Sm1 C1 26.0(3) . . ?
C1 Sm1 K1 64.1(3) . 2_766 ?
O1W Sm1 K1 84.8(3) . 2_766 ?
O1W Sm1 O40 105.4(4) . . ?
O1W Sm1 O41 74.3(4) . . ?
O1W Sm1 C1 90.5(4) . . ?
O2W Sm1 K1 146.2(2) . 2_766 ?
O2W Sm1 O40 73.7(3) . . ?
O2W Sm1 O41 104.0(3) . . ?
O2W Sm1 C1 89.4(4) . . ?
O2W Sm1 O1W 74.3(4) . . ?
O36 P1 O37 108.3(5) . . ?
O36 P1 O38 107.7(5) . . ?
O38 P1 O37 109.1(5) . . ?
O39 P1 O36 110.1(5) . . ?
O39 P1 O37 111.6(5) . . ?
O39 P1 O38 109.9(5) . . ?
W6 K1 W5 50.93(6) 2_766 2_766 ?
W10 K1 W5 79.50(8) 2_766 2_766 ?
W10 K1 W6 57.82(6) 2_766 2_766 ?
W10 K1 Sm1 61.09(6) 2_766 2_766 ?
Sm1 K1 W5 60.95(6) 2_766 2_766 ?
Sm1 K1 W6 91.60(9) 2_766 2_766 ?
O6 K1 W5 92.0(2) . 2_766 ?
O6 K1 W6 97.4(2) . 2_766 ?
O6 K1 W10 153.5(3) . 2_766 ?
O6 K1 Sm1 135.3(2) . 2_766 ?
O6 K1 O16 111.6(3) . 2_766 ?
O6 K1 O30 170.9(3) . 2_766 ?
O6 K1 O34 123.1(3) . 2_766 ?
O6 K1 O35 82.0(3) . 2_766 ?
O6 K1 O3W 125.8(3) . . ?
O16 K1 W5 24.34(18) 2_766 2_766 ?
O16 K1 W6 64.7(2) 2_766 2_766 ?
O16 K1 W10 68.56(18) 2_766 2_766 ?
O16 K1 Sm1 36.64(18) 2_766 2_766 ?
O16 K1 O35 50.8(3) 2_766 2_766 ?
O16 K1 O3W 110.0(3) 2_766 . ?
O30 K1 W5 79.1(2) 2_766 2_766 ?
O30 K1 W6 78.7(2) 2_766 2_766 ?
O30 K1 W10 26.90(19) 2_766 2_766 ?
O30 K1 Sm1 37.56(19) 2_766 2_766 ?
O30 K1 O16 59.3(3) 2_766 2_766 ?
O30 K1 O34 54.6(3) 2_766 2_766 ?
O30 K1 O35 91.0(3) 2_766 2_766 ?
O30 K1 O3W 61.3(3) 2_766 . ?
O34 K1 W5 63.82(18) 2_766 2_766 ?
O34 K1 W6 27.01(17) 2_766 2_766 ?
O34 K1 W10 31.08(17) 2_766 2_766 ?
O34 K1 Sm1 78.50(19) 2_766 2_766 ?
O34 K1 O16 65.9(3) 2_766 2_766 ?
O34 K1 O35 51.4(2) 2_766 2_766 ?
O34 K1 O3W 104.8(3) 2_766 . ?
O35 K1 W5 28.94(17) 2_766 2_766 ?
O35 K1 W6 28.12(16) 2_766 2_766 ?
O35 K1 W10 78.53(18) 2_766 2_766 ?
O35 K1 Sm1 86.18(19) 2_766 2_766 ?
O41 K1 W5 77.5(2) 2_766 2_766 ?
O41 K1 W6 124.8(3) 2_766 2_766 ?
O41 K1 W10 99.3(2) 2_766 2_766 ?
O41 K1 Sm1 40.1(2) 2_766 2_766 ?
O41 K1 O6 103.3(3) 2_766 . ?
O41 K1 O16 60.1(3) 2_766 2_766 ?
O41 K1 O30 72.9(3) 2_766 2_766 ?
O41 K1 O34 118.3(3) 2_766 2_766 ?
O41 K1 O35 106.2(3) 2_766 2_766 ?
O41 K1 O3W 70.1(3) 2_766 . ?
O3W K1 W5 134.3(3) . 2_766 ?
O3W K1 W6 131.6(3) . 2_766 ?
O3W K1 W10 75.1(2) . 2_766 ?
O3W K1 Sm1 73.5(3) . 2_766 ?
O3W K1 O35 152.2(3) . 2_766 ?
O4W K1 W5 144.7(3) . 2_766 ?
O4W K1 W6 94.7(3) . 2_766 ?
O4W K1 W10 88.5(3) . 2_766 ?
O4W K1 Sm1 138.8(3) . 2_766 ?
O4W K1 O6 84.1(4) . . ?
O4W K1 O16 154.8(4) . 2_766 ?
O4W K1 O30 104.3(4) . 2_766 ?
O4W K1 O34 89.1(4) . 2_766 ?
O4W K1 O35 116.2(4) . 2_766 ?
O4W K1 O41 137.6(4) . 2_766 ?
O4W K1 O3W 72.0(4) . . ?
O3 K2 O7 86.0(3) 2_667 . ?
O3 K2 O8 98.4(3) 2_667 2_767 ?
O3 K2 O8W 88.4(5) 2_667 . ?
O3 K2 O9W 115.3(6) 2_667 . ?
O8 K2 O7 175.0(4) 2_767 . ?
O8W K2 O7 102.8(5) . . ?
O8W K2 O8 79.8(5) . 2_767 ?
O9W K2 O7 74.8(5) . . ?
O9W K2 O8 101.0(5) . 2_767 ?
O9W K2 O8W 155.6(7) . . ?
C8 N1 C11 108.7(8) . . ?
C9 N1 C8 109.6(8) . . ?
C9 N1 C11 109.1(8) . . ?
C10 N1 C8 109.4(8) . . ?
C10 N1 C9 110.3(8) . . ?
C10 N1 C11 109.7(8) . . ?
C12 N2 C15 108.9(9) . . ?
C13 N2 C12 108.9(9) . . ?
C13 N2 C15 107.2(9) . . ?
C14 N2 C12 110.7(9) . . ?
C14 N2 C13 111.3(9) . . ?
C14 N2 C15 109.8(9) . . ?
C16 N3 C18 110.0(10) . . ?
C16 N3 C19 108.1(10) . . ?
C17 N3 C16 110.6(10) . . ?
C17 N3 C18 110.6(10) . . ?
C17 N3 C19 109.2(10) . . ?
C18 N3 C19 108.3(10) . . ?
W3 O3 K2 167.4(6) . 2_667 ?
W6 O6 K1 132.3(5) . . ?
W7 O7 K2 133.7(5) . . ?
W8 O8 K2 138.6(5) . 2_767 ?
W6 O12 W4 126.1(5) . . ?
W11 O13 Sm1 135.9(5) . . ?
W8 O14 W6 147.1(6) . . ?
W4 O15 W5 127.3(5) . . ?
W5 O16 Sm1 157.0(5) . . ?
W5 O16 K1 110.6(4) . 2_766 ?
Sm1 O16 K1 92.1(3) . 2_766 ?
W4 O17 W3 154.0(5) . . ?
W9 O18 W8 125.0(5) . . ?
W2 O19 Sm1 156.8(5) . . ?
W3 O20 W1 125.7(5) . . ?
W7 O21 W3 151.1(5) . . ?
W3 O22 W2 128.5(5) . . ?
W7 O23 W9 125.8(5) . . ?
W9 O24 W1 148.5(6) . . ?
W9 O25 W11 153.3(5) . . ?
W2 O26 W5 144.4(5) . . ?
W1 O27 W2 126.2(5) . . ?
W7 O28 W8 124.9(5) . . ?
W8 O29 W10 152.9(5) . . ?
W10 O30 Sm1 136.9(5) . . ?
W10 O30 K1 107.6(4) . 2_766 ?
Sm1 O30 K1 97.0(3) . 2_766 ?
W10 O31 W11 123.6(5) . . ?
W1 O32 W11 155.3(6) . . ?
W7 O33 W4 150.3(6) . . ?
W6 O34 W10 154.1(5) . . ?
W6 O34 K1 107.3(3) . 2_766 ?
W10 O34 K1 96.4(3) . 2_766 ?
W5 O35 K1 98.9(3) . 2_766 ?
W6 O35 W5 125.6(5) . . ?
W6 O35 K1 98.9(3) . 2_766 ?
W1 O36 W2 89.7(3) . . ?
W1 O36 W3 87.6(3) . . ?
W2 O36 W3 89.1(3) . . ?
P1 O36 W1 126.7(5) . . ?
P1 O36 W2 125.6(5) . . ?
P1 O36 W3 126.0(5) . . ?
W5 O37 W4 89.5(3) . . ?
W6 O37 W4 88.3(3) . . ?
W6 O37 W5 90.1(3) . . ?
P1 O37 W4 126.8(5) . . ?
P1 O37 W5 124.9(5) . . ?
P1 O37 W6 125.6(5) . . ?
W7 O38 W8 89.5(3) . . ?
W9 O38 W7 91.0(3) . . ?
W9 O38 W8 89.1(3) . . ?
P1 O38 W7 128.4(5) . . ?
P1 O38 W8 122.7(5) . . ?
P1 O38 W9 124.8(5) . . ?
W11 O39 W10 90.9(3) . . ?
P1 O39 W10 128.0(5) . . ?
P1 O39 W11 129.2(5) . . ?
C1 O40 Sm1 94.0(8) . . ?
Sm1 O41 K1 96.1(3) . 2_766 ?
C1 O41 Sm1 92.9(9) . . ?
C1 O41 K1 133.7(9) . 2_766 ?
O40 C1 Sm1 60.0(7) . . ?
O40 C1 O41 121.0(13) . . ?
O40 C1 C2 118.9(12) . . ?
O41 C1 Sm1 61.1(7) . . ?
O41 C1 C2 119.9(13) . . ?
C2 C1 Sm1 173.1(10) . . ?
C3 C2 C1 123.5(15) . . ?
C3 C2 C7 117.1(15) . . ?
C7 C2 C1 119.3(13) . . ?
C2 C3 H3 117.0 . . ?
C2 C3 C4 126.1(19) . . ?
C4 C3 H3 117.0 . . ?
C3 C4 H4 122.5 . . ?
C5 C4 C3 115.1(18) . . ?
C5 C4 H4 122.5 . . ?
C4 C5 H5 118.5 . . ?
C4 C5 C6 122.9(19) . . ?
C6 C5 H5 118.5 . . ?
C5 C6 H6 120.9 . . ?
C7 C6 C5 118(2) . . ?
C7 C6 H6 120.9 . . ?
C2 C7 H7 119.7 . . ?
C6 C7 C2 120.5(16) . . ?
C6 C7 H7 119.7 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 H13A 109.5 . . ?
N2 C13 H13B 109.5 . . ?
N2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C14 H14A 109.5 . . ?
N2 C14 H14B 109.5 . . ?
N2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 H15A 109.5 . . ?
N2 C15 H15B 109.5 . . ?
N2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N3 C16 H16A 109.5 . . ?
N3 C16 H16B 109.5 . . ?
N3 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N3 C17 H17A 109.5 . . ?
N3 C17 H17B 109.5 . . ?
N3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N3 C18 H18A 109.5 . . ?
N3 C18 H18B 109.5 . . ?
N3 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N3 C19 H19A 109.5 . . ?
N3 C19 H19B 109.5 . . ?
N3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

_shelx_SHELXL_version_number     2018/1
_olex2_submission_special_instructions 'No special instructions were received'
