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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_p1
_database_code_depnum_ccdc_archive 'CCDC 1449923'
_audit_update_record             
;
2016-04-05 deposited with the CCDC.
2016-04-11 downloaded from the CCDC.
;
_audit_creation_date             2016-04-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Co2 O114 P4 W32, 8(O), 6(C10 H16 N4)'
_chemical_formula_sum            'C60 H96 Co2 N24 O122 P4 W32'
_chemical_formula_weight         9230.54
_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'
Co Co 0.3494 0.9721 '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'
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                   15.082(2)
_cell_length_b                   15.392(2)
_cell_length_c                   20.427(3)
_cell_angle_alpha                78.8374(13)
_cell_angle_beta                 82.5853(13)
_cell_angle_gamma                75.4572(12)
_cell_volume                     4487.0(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_shelx_estimated_absorpt_T_max   0.424
_shelx_estimated_absorpt_T_min   0.288
_exptl_absorpt_coefficient_mu    20.727
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3239
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    3.416
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       blcok
_exptl_crystal_F_000             4082
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            78602
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.568
_diffrn_ambient_temperature      298.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Apex-II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12885
_reflns_number_total             17648
_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_data_collection       'APEX2 (Bruker,2005)'
_computing_cell_refinement       'APEX2 (Bruker,2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'DIAMOND  (Brandenburg, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_refine_diff_density_max         3.309
_refine_diff_density_min         -3.668
_refine_diff_density_rms         0.310
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1096
_refine_ls_number_reflns         17648
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0399
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0539P)²+1.4111P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1084
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: O1W(0.2) O3W(0.3) O3WA(0.7) O4W(0.5) O4WA(0.5) O1WA(0.8)
3.a Me refined with riding coordinates:
 C15(H15A,H15B,H15C), C20(H20A,H20B,H20C)
3.b Aromatic/amide H refined with riding coordinates:
 N1(H1), N2(H2), N3(H3), N4(H4), N5(H5), N6(H6), N7(H7), N8(H8), N9(H9),
 N10(H10), N11(H11), N12(H12)
3.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C16(H16A,H16B,H16C), C21(H21A,H21B,H21C), C25(H25A,H25B,
 H25C), C26(H26A,H26B,H26C), C30(H30A,H30B,H30C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.40116(4) 0.07791(4) 0.34178(3) 0.03222(14) Uani 1 1 d . . . . .
W2 W 0.19098(4) 0.04794(4) 0.41203(3) 0.03121(13) Uani 1 1 d . . . . .
W3 W 0.26221(4) 0.23194(4) 0.43059(2) 0.02952(13) Uani 1 1 d . . . . .
W4 W 0.13775(3) 0.01937(3) 0.24730(2) 0.02562(12) Uani 1 1 d . . . . .
W5 W 0.34464(3) 0.05146(3) 0.17796(3) 0.02740(12) Uani 1 1 d . . . . .
W6 W 0.41185(3) 0.26069(3) 0.19137(3) 0.02646(12) Uani 1 1 d . . . . .
W7 W 0.27718(3) 0.41113(3) 0.28257(2) 0.02282(11) Uani 1 1 d . . . . .
W8 W 0.05151(3) 0.37610(3) 0.35917(2) 0.02219(11) Uani 1 1 d . . . . .
W9 W -0.01871(3) 0.19510(3) 0.33283(2) 0.02206(11) Uani 1 1 d . . . . .
W10 W -0.12904(3) 0.32331(3) 0.17453(2) 0.02169(11) Uani 1 1 d . . . . .
W11 W -0.05525(3) 0.50127(3) 0.20078(2) 0.01584(10) Uani 1 1 d . . . . .
W12 W 0.17219(3) 0.53737(3) 0.12486(2) 0.01597(10) Uani 1 1 d . . . . .
W13 W 0.30637(3) 0.39108(3) 0.03071(3) 0.02777(13) Uani 1 1 d . . . . .
W14 W 0.23758(3) 0.18054(3) 0.02000(2) 0.01908(11) Uani 1 1 d . . . . .
W15 W 0.03223(3) 0.14854(3) 0.08899(2) 0.01823(11) Uani 1 1 d . . . . .
W16 W 0.03344(3) 0.33397(3) -0.05515(2) 0.01975(11) Uani 1 1 d . . . . .
Co1 Co -0.09997(9) 0.48498(9) 0.03315(7) 0.0114(3) Uani 1 1 d . . . . .
P1 P 0.20335(17) 0.21523(17) 0.26946(12) 0.0107(5) Uani 1 1 d . . . . .
P2 P 0.08704(17) 0.35535(16) 0.09847(12) 0.0079(5) Uani 1 1 d . . . . .
O1 O 0.1664(6) -0.0384(5) 0.4748(4) 0.034(2) Uani 1 1 d . . . . .
O1W O 0.715(7) 0.337(7) 0.396(5) 0.15(3) Uiso 0.2 1 d . . P A 2
O2 O 0.2812(6) 0.2642(6) 0.5025(4) 0.041(2) Uani 1 1 d . . . . .
O2W O 0.6764(11) 1.1542(11) 0.4520(8) 0.119(5) Uiso 1 1 d . . . . .
O3 O 0.5068(6) 0.0105(7) 0.3616(5) 0.048(3) Uani 1 1 d . . . . .
O3W O 0.523(3) 0.089(3) 0.496(2) 0.084(14) Uiso 0.3 1 d . . P B 1
O3WA O 0.5093(17) 0.1353(18) 0.5149(13) 0.117(9) Uiso 0.7 1 d . . P C 2
O4 O 0.2095(6) 0.1295(6) 0.4625(4) 0.040(2) Uani 1 1 d . . . . .
O4W O 0.3911(11) 0.3205(11) 0.7872(8) 0.034(4) Uiso 0.5 1 d . . P D 2
O4WA O 0.3025(10) 0.3538(10) 0.8432(7) 0.021(3) Uiso 0.5 1 d . . P E 1
O5 O 0.3208(6) 0.0055(5) 0.3953(5) 0.040(2) Uani 1 1 d . . . . .
O6 O 0.3783(6) 0.1511(6) 0.4102(5) 0.040(2) Uani 1 1 d . . . . .
O7 O 0.1853(6) 0.0005(5) 0.3307(4) 0.037(2) Uani 1 1 d . . . . .
O8 O 0.0770(5) 0.1224(5) 0.3957(4) 0.0265(19) Uani 1 1 d . . . . .
O9 O 0.3787(6) 0.0286(5) 0.2672(4) 0.034(2) Uani 1 1 d . . . . .
O10 O 0.2485(5) 0.1630(5) 0.3370(3) 0.0249(19) Uani 1 1 d . . . . .
O11 O 0.4278(5) 0.1747(6) 0.2798(4) 0.031(2) Uani 1 1 d . . . . .
O12 O 0.1405(5) 0.2978(6) 0.4159(4) 0.032(2) Uani 1 1 d . . . . .
O13 O 0.2992(5) 0.3204(6) 0.3632(4) 0.029(2) Uani 1 1 d . . . . .
O14 O -0.1060(5) 0.1519(6) 0.3772(4) 0.030(2) Uani 1 1 d . . . . .
O15 O 0.0972(6) -0.0755(5) 0.2571(4) 0.036(2) Uani 1 1 d . . . . .
O16 O 0.4307(6) -0.0239(6) 0.1450(4) 0.041(2) Uani 1 1 d . . . . .
O17 O 0.5266(6) 0.2492(6) 0.1693(4) 0.041(2) Uani 1 1 d . . . . .
O18 O 0.3050(6) 0.4980(6) 0.3106(4) 0.036(2) Uani 1 1 d . . . . .
O19 O 0.0017(6) 0.4525(6) 0.4111(4) 0.036(2) Uani 1 1 d . . . . .
O20 O 0.2557(5) -0.0215(5) 0.2038(4) 0.0286(19) Uani 1 1 d . . . . .
O21 O 0.0355(5) 0.1050(5) 0.2793(4) 0.0244(18) Uani 1 1 d . . . . .
O22 O -0.0256(5) 0.2944(5) 0.3798(4) 0.0269(19) Uani 1 1 d . . . . .
O23 O 0.1496(5) 0.4246(5) 0.3137(4) 0.0270(19) Uani 1 1 d . . . . .
O24 O 0.3951(5) 0.3563(5) 0.2428(4) 0.0275(19) Uani 1 1 d . . . . .
O25 O 0.3880(5) 0.1578(5) 0.1634(4) 0.030(2) Uani 1 1 d . . . . .
O26 O 0.2095(5) 0.1439(5) 0.2259(3) 0.0197(17) Uani 1 1 d . . . . .
O27 O 0.2588(5) 0.2841(5) 0.2389(4) 0.0241(18) Uani 1 1 d . . . . .
O28 O 0.1049(5) 0.2609(5) 0.2889(4) 0.0203(17) Uani 1 1 d . . . . .
O29 O 0.3618(5) 0.3374(5) 0.1190(4) 0.0219(18) Uani 1 1 d . . . . .
O30 O 0.2416(5) 0.4715(5) 0.1981(4) 0.0216(17) Uani 1 1 d . . . . .
O31 O 0.2837(5) 0.1041(5) 0.0954(4) 0.0257(19) Uani 1 1 d . . . . .
O32 O -0.0190(5) 0.4334(5) 0.2844(4) 0.0205(17) Uani 1 1 d . . . . .
O33 O 0.0940(5) 0.0745(5) 0.1589(4) 0.028(2) Uani 1 1 d . . . . .
O34 O -0.0780(5) 0.2716(5) 0.2634(3) 0.0233(18) Uani 1 1 d . . . . .
O35 O 0.4066(5) 0.3969(5) -0.0151(4) 0.0255(19) Uani 1 1 d . . . . .
O36 O 0.2756(5) 0.5051(5) 0.0656(4) 0.0180(16) Uani 1 1 d . . . . .
O37 O 0.1776(5) 0.6437(5) 0.1346(4) 0.0229(18) Uani 1 1 d . . . . .
O38 O 0.0636(4) 0.5248(5) 0.1821(4) 0.0184(17) Uani 1 1 d . . . . .
O39 O -0.1172(5) 0.5988(5) 0.2300(4) 0.0191(17) Uani 1 1 d . . . . .
O40 O -0.1505(5) 0.4405(5) 0.2052(4) 0.0184(17) Uani 1 1 d . . . . .
O41 O -0.2337(5) 0.2962(5) 0.1969(4) 0.0279(19) Uani 1 1 d . . . . .
O42 O -0.0556(5) 0.2154(5) 0.1468(3) 0.0182(17) Uani 1 1 d . . . . .
O43 O -0.0299(5) 0.0803(5) 0.0690(4) 0.0275(19) Uani 1 1 d . . . . .
O44 O 0.1386(5) 0.1211(5) 0.0277(4) 0.0219(17) Uani 1 1 d . . . . .
O45 O 0.3093(5) 0.1317(5) -0.0421(4) 0.0280(19) Uani 1 1 d . . . . .
O46 O 0.2968(5) 0.2694(5) 0.0289(4) 0.0216(17) Uani 1 1 d . . . . .
O47 O 0.1665(5) 0.3967(5) 0.1034(3) 0.0178(16) Uani 1 1 d . . . . .
O48 O 0.1201(4) 0.2524(5) 0.0944(3) 0.0161(16) Uani 1 1 d . . . . .
O49 O 0.0122(4) 0.3729(4) 0.1551(3) 0.0140(15) Uani 1 1 d . . . . .
O50 O 0.2274(5) 0.4382(5) -0.0320(4) 0.0203(17) Uani 1 1 d . . . . .
O51 O 0.0908(4) 0.5783(4) 0.0510(3) 0.0163(16) Uani 1 1 d . . . . .
O52 O 0.0429(4) 0.4061(4) 0.0300(3) 0.0136(15) Uani 1 1 d . . . . .
O53 O 0.1563(4) 0.2775(5) -0.0430(3) 0.0163(16) Uani 1 1 d . . . . .
O54 O -0.1437(5) 0.3796(5) 0.0899(4) 0.0193(17) Uani 1 1 d . . . . .
O55 O -0.0097(5) 0.2514(4) 0.0128(3) 0.0157(16) Uani 1 1 d . . . . .
O56 O 0.0714(5) 0.4471(5) -0.1045(4) 0.0170(16) Uani 1 1 d . . . . .
O57 O 0.0186(5) 0.2912(5) -0.1240(4) 0.0228(18) Uani 1 1 d . . . . .
N1 N 0.4711(8) 0.1953(9) 0.9297(7) 0.047(3) Uani 1 1 d . . . . .
H1 H 0.4277 0.1668 0.9355 0.056 Uiso 1 1 calc R . . . .
N2 N 0.4777(7) 0.2685(10) 0.8845(7) 0.061(4) Uani 1 1 d . . . . .
H2 H 0.4394 0.2937 0.8548 0.074 Uiso 1 1 calc R . . . .
N3 N 0.8213(7) 0.2219(8) 0.9919(6) 0.042(3) Uani 1 1 d . . . . .
H3 H 0.8796 0.2005 0.9930 0.051 Uiso 1 1 calc R . . . .
N4 N 0.7748(9) 0.2896(8) 1.0207(5) 0.045(3) Uani 1 1 d . . . . .
H4 H 0.7971 0.3199 1.0431 0.053 Uiso 1 1 calc R . . . .
N5 N 0.9328(11) 0.3131(10) 0.7462(8) 0.074(5) Uani 1 1 d . . . . .
H5 H 0.9185 0.3156 0.7881 0.089 Uiso 1 1 calc R . . . .
N6 N 1.0107(11) 0.3231(9) 0.7125(9) 0.075(5) Uani 1 1 d . . . . .
H6 H 1.0551 0.3326 0.7304 0.090 Uiso 1 1 calc R . . . .
N7 N 0.8749(10) 0.2171(10) 0.5002(6) 0.057(4) Uani 1 1 d . . . . .
H7 H 0.8761 0.1771 0.4758 0.069 Uiso 1 1 calc R . . . .
N8 N 0.8290(10) 0.3003(12) 0.4903(7) 0.074(4) Uani 1 1 d . . . . .
H8 H 0.7951 0.3248 0.4577 0.088 Uiso 1 1 calc R . . . .
N9 N 0.7003(10) 1.0946(11) 0.3294(7) 0.071(4) Uani 1 1 d . . . . .
H9 H 0.6946 1.1175 0.3654 0.085 Uiso 1 1 calc R . . . .
N10 N 0.6995(12) 1.1424(10) 0.2653(7) 0.085(5) Uani 1 1 d . . . . .
H10 H 0.6892 1.2006 0.2542 0.102 Uiso 1 1 calc R . . . .
N11 N 0.7421(11) 0.7921(10) 0.1965(9) 0.080(5) Uani 1 1 d . . . . .
H11 H 0.7224 0.7495 0.1856 0.095 Uiso 1 1 calc R . . . .
N12 N 0.8242(12) 0.8051(11) 0.1840(9) 0.094(6) Uani 1 1 d . . . . .
H12 H 0.8699 0.7678 0.1672 0.113 Uiso 1 1 calc R . . . .
C1 C 0.5520(12) 0.0936(11) 1.0179(11) 0.083(6) Uani 1 1 d . . . . .
H1A H 0.5566 0.1115 1.0596 0.125 Uiso 1 1 calc GR . . . .
H1B H 0.6061 0.0485 1.0076 0.125 Uiso 1 1 calc GR . . . .
H1C H 0.4989 0.0688 1.0215 0.125 Uiso 1 1 calc GR . . . .
C2 C 0.5432(9) 0.1750(11) 0.9634(8) 0.045(4) Uani 1 1 d . . . . .
C3 C 0.5957(8) 0.2376(8) 0.9423(6) 0.027(3) Uani 1 1 d . . . . .
C4 C 0.5527(9) 0.2986(11) 0.8913(7) 0.046(4) Uani 1 1 d . . . . .
C5 C 0.5769(11) 0.3860(12) 0.8518(9) 0.074(6) Uani 1 1 d . . . . .
H5A H 0.5525 0.3999 0.8088 0.110 Uiso 1 1 calc GR . . . .
H5B H 0.6425 0.3777 0.8456 0.110 Uiso 1 1 calc GR . . . .
H5C H 0.5510 0.4353 0.8760 0.110 Uiso 1 1 calc GR . . . .
C6 C 0.6135(10) 0.3735(9) 1.0409(7) 0.042(4) Uani 1 1 d . . . . .
H6A H 0.6420 0.4010 1.0683 0.063 Uiso 1 1 calc GR . . . .
H6B H 0.5687 0.3447 1.0681 0.063 Uiso 1 1 calc GR . . . .
H6C H 0.5840 0.4195 1.0066 0.063 Uiso 1 1 calc GR . . . .
C7 C 0.6847(8) 0.3043(8) 1.0095(6) 0.024(3) Uani 1 1 d . . . . .
C8 C 0.6794(8) 0.2415(8) 0.9701(6) 0.025(3) Uani 1 1 d . . . . .
C9 C 0.7678(8) 0.1899(8) 0.9609(7) 0.031(3) Uani 1 1 d . . . . .
C10 C 0.8037(11) 0.1142(11) 0.9221(9) 0.068(5) Uani 1 1 d . . . . .
H10A H 0.8638 0.1176 0.9012 0.101 Uiso 1 1 calc GR . . . .
H10B H 0.7631 0.1192 0.8883 0.101 Uiso 1 1 calc GR . . . .
H10C H 0.8073 0.0570 0.9516 0.101 Uiso 1 1 calc GR . . . .
C11 C 1.0912(13) 0.3317(15) 0.5963(11) 0.098(8) Uani 1 1 d . . . . .
H11A H 1.1320 0.3581 0.6142 0.147 Uiso 1 1 calc GR . . . .
H11B H 1.0667 0.3720 0.5574 0.147 Uiso 1 1 calc GR . . . .
H11C H 1.1243 0.2744 0.5840 0.147 Uiso 1 1 calc GR . . . .
C12 C 1.0149(13) 0.3171(11) 0.6474(10) 0.070(5) Uani 1 1 d . . . . .
C13 C 0.9302(10) 0.2991(11) 0.6403(7) 0.048(4) Uani 1 1 d . . . . .
C14 C 0.8778(12) 0.2977(10) 0.7026(8) 0.053(4) Uani 1 1 d . . . . .
C15 C 0.7869(11) 0.2825(10) 0.7236(8) 0.058(5) Uani 1 1 d . . . . .
H15A H 0.7603 0.2732 0.6860 0.087 Uiso 1 1 calc R . . . .
H15B H 0.7910 0.2296 0.7579 0.087 Uiso 1 1 calc R . . . .
H15C H 0.7490 0.3346 0.7409 0.087 Uiso 1 1 calc R . . . .
C16 C 0.8029(17) 0.4441(14) 0.5369(10) 0.110(8) Uani 1 1 d . . . . .
H16A H 0.7816 0.4717 0.4937 0.165 Uiso 1 1 calc GR . . . .
H16B H 0.8499 0.4715 0.5454 0.165 Uiso 1 1 calc GR . . . .
H16C H 0.7526 0.4532 0.5707 0.165 Uiso 1 1 calc GR . . . .
C17 C 0.8418(13) 0.3433(14) 0.5382(9) 0.068(5) Uani 1 1 d . . . . .
C18 C 0.9005(11) 0.2840(12) 0.5789(7) 0.050(4) Uani 1 1 d . . . . .
C19 C 0.9204(11) 0.2027(13) 0.5548(7) 0.055(5) Uani 1 1 d . . . . .
C20 C 0.9900(13) 0.1167(12) 0.5763(8) 0.074(6) Uani 1 1 d . . . . .
H20A H 1.0140 0.1210 0.6166 0.110 Uiso 1 1 calc R . . . .
H20B H 0.9613 0.0661 0.5846 0.110 Uiso 1 1 calc R . . . .
H20C H 1.0391 0.1080 0.5416 0.110 Uiso 1 1 calc R . . . .
C21 C 0.7105(15) 0.9426(14) 0.3899(9) 0.096(7) Uani 1 1 d . . . . .
H21A H 0.7296 0.8814 0.3809 0.144 Uiso 1 1 calc GR . . . .
H21B H 0.6494 0.9522 0.4118 0.144 Uiso 1 1 calc GR . . . .
H21C H 0.7519 0.9521 0.4184 0.144 Uiso 1 1 calc GR . . . .
C22 C 0.7115(11) 1.0070(10) 0.3266(8) 0.055(4) Uani 1 1 d . . . . .
C23 C 0.7243(9) 0.9980(10) 0.2615(7) 0.047(4) Uani 1 1 d . . . . .
C24 C 0.7168(11) 1.0851(11) 0.2251(8) 0.054(4) Uani 1 1 d . . . . .
C25 C 0.7289(12) 1.1174(10) 0.1495(7) 0.064(5) Uani 1 1 d . . . . .
H25A H 0.6805 1.1697 0.1367 0.096 Uiso 1 1 calc GR . . . .
H25B H 0.7266 1.0695 0.1263 0.096 Uiso 1 1 calc GR . . . .
H25C H 0.7872 1.1333 0.1379 0.096 Uiso 1 1 calc GR . . . .
C26 C 0.9185(18) 0.9105(18) 0.1886(14) 0.139(10) Uiso 1 1 d . . . . .
H26A H 0.9685 0.8576 0.1901 0.209 Uiso 1 1 calc GR . . . .
H26B H 0.9224 0.9439 0.2228 0.209 Uiso 1 1 calc GR . . . .
H26C H 0.9218 0.9484 0.1455 0.209 Uiso 1 1 calc GR . . . .
C27 C 0.8300(13) 0.8821(12) 0.2000(14) 0.107(9) Uani 1 1 d . . . . .
C28 C 0.7436(11) 0.9187(10) 0.2327(8) 0.053(4) Uani 1 1 d . . . . .
C29 C 0.6915(11) 0.8608(12) 0.2313(7) 0.055(5) Uani 1 1 d . . . . .
C30 C 0.5900(13) 0.8615(15) 0.2571(14) 0.122(9) Uani 1 1 d . . . . .
H30A H 0.5500 0.9018 0.2255 0.182 Uiso 1 1 calc GR . . . .
H30B H 0.5766 0.8821 0.2995 0.182 Uiso 1 1 calc GR . . . .
H30C H 0.5805 0.8011 0.2622 0.182 Uiso 1 1 calc GR . . . .
O1WA O 0.7614(17) 0.3899(17) 0.3648(12) 0.144(8) Uiso 0.8 1 d . . P F 1


_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 O3 1.718(9) . ?
W1 O5 1.942(8) . ?
W1 O6 1.906(9) . ?
W1 O9 1.930(8) . ?
W1 O10 2.349(7) . ?
W1 O11 1.850(8) . ?
W2 O1 1.737(8) . ?
W2 O4 1.863(9) . ?
W2 O5 1.910(8) . ?
W2 O7 1.959(9) . ?
W2 O8 1.841(8) . ?
W2 O10 2.370(7) . ?
W3 O2 1.717(9) . ?
W3 O4 1.908(8) . ?
W3 O6 1.925(8) . ?
W3 O10 2.413(8) . ?
W3 O12 1.892(8) . ?
W3 O13 1.876(8) . ?
W4 O7 1.876(8) . ?
W4 O15 1.688(8) . ?
W4 O20 1.896(8) . ?
W4 O21 1.896(7) . ?
W4 O26 2.373(7) . ?
W4 O33 1.963(7) . ?
W5 O9 1.900(8) . ?
W5 O16 1.674(8) . ?
W5 O20 1.919(8) . ?
W5 O25 1.869(8) . ?
W5 O26 2.388(7) . ?
W5 O31 1.959(8) . ?
W6 O11 2.025(8) . ?
W6 O17 1.704(8) . ?
W6 O24 1.917(8) . ?
W6 O25 1.911(8) . ?
W6 O27 2.354(7) . ?
W6 O29 1.821(7) . ?
W7 O13 1.947(7) . ?
W7 O18 1.711(8) . ?
W7 O23 1.920(8) . ?
W7 O24 1.916(7) . ?
W7 O27 2.389(8) . ?
W7 O30 1.870(7) . ?
W8 O12 1.908(8) . ?
W8 O19 1.704(8) . ?
W8 O22 1.875(8) . ?
W8 O23 1.882(8) . ?
W8 O28 2.412(7) . ?
W8 O32 1.916(7) . ?
W9 O8 2.025(8) . ?
W9 O14 1.702(8) . ?
W9 O21 1.892(7) . ?
W9 O22 1.931(8) . ?
W9 O28 2.339(7) . ?
W9 O34 1.831(7) . ?
W10 O34 2.003(7) . ?
W10 O40 1.961(7) . ?
W10 O41 1.715(8) . ?
W10 O42 1.894(7) . ?
W10 O49 2.399(6) . ?
W10 O54 1.792(7) . ?
W11 O32 1.889(7) . ?
W11 O38 1.894(7) . ?
W11 O39 1.727(7) . ?
W11 O40 1.885(7) . ?
W11 O49 2.295(7) . ?
W11 O56 1.995(7) 2_565 ?
W12 O30 1.909(7) . ?
W12 O36 1.871(7) . ?
W12 O37 1.710(7) . ?
W12 O38 1.914(7) . ?
W12 O47 2.315(7) . ?
W12 O51 1.975(7) . ?
W13 O29 2.024(7) . ?
W13 O35 1.684(7) . ?
W13 O36 1.948(7) . ?
W13 O46 1.922(7) . ?
W13 O47 2.410(7) . ?
W13 O50 1.785(7) . ?
W14 O31 1.846(8) . ?
W14 O44 1.913(7) . ?
W14 O45 1.718(8) . ?
W14 O46 1.858(7) . ?
W14 O48 2.376(7) . ?
W14 O53 2.032(7) . ?
W15 O33 1.839(7) . ?
W15 O42 1.894(7) . ?
W15 O43 1.705(8) . ?
W15 O44 1.914(7) . ?
W15 O48 2.345(7) . ?
W15 O55 2.031(6) . ?
W16 O51 2.019(6) 2_565 ?
W16 O52 2.274(7) . ?
W16 O53 1.865(6) . ?
W16 O55 1.862(7) . ?
W16 O56 2.012(7) . ?
W16 O57 1.724(7) . ?
Co1 O50 1.988(7) 2_565 ?
Co1 O51 2.108(7) 2_565 ?
Co1 O52 2.191(7) . ?
Co1 O52 2.195(7) 2_565 ?
Co1 O54 2.005(7) . ?
Co1 O56 2.093(7) 2_565 ?
P1 O10 1.597(7) . ?
P1 O26 1.520(8) . ?
P1 O27 1.505(8) . ?
P1 O28 1.514(7) . ?
P2 O47 1.514(7) . ?
P2 O48 1.552(8) . ?
P2 O49 1.522(7) . ?
P2 O52 1.601(7) . ?
O50 Co1 1.988(7) 2_565 ?
O51 W16 2.019(6) 2_565 ?
O51 Co1 2.108(7) 2_565 ?
O52 Co1 2.195(7) 2_565 ?
O56 W11 1.995(7) 2_565 ?
O56 Co1 2.092(7) 2_565 ?
N1 N2 1.327(17) . ?
N1 C2 1.301(17) . ?
N2 C4 1.356(18) . ?
N3 N4 1.299(15) . ?
N3 C9 1.322(15) . ?
N4 C7 1.363(15) . ?
N5 N6 1.312(19) . ?
N5 C14 1.382(19) . ?
N6 C12 1.34(2) . ?
N7 N8 1.285(18) . ?
N7 C19 1.337(19) . ?
N8 C17 1.34(2) . ?
N9 N10 1.372(17) . ?
N9 C22 1.328(19) . ?
N10 C24 1.277(19) . ?
N11 N12 1.290(19) . ?
N11 C29 1.398(19) . ?
N12 C27 1.31(2) . ?
C1 C2 1.50(2) . ?
C2 C3 1.369(18) . ?
C3 C4 1.371(18) . ?
C3 C8 1.466(16) . ?
C4 C5 1.53(2) . ?
C6 C7 1.487(17) . ?
C7 C8 1.396(16) . ?
C8 C9 1.380(16) . ?
C9 C10 1.486(19) . ?
C11 C12 1.48(2) . ?
C12 C13 1.40(2) . ?
C13 C14 1.41(2) . ?
C13 C18 1.46(2) . ?
C14 C15 1.45(2) . ?
C16 C17 1.51(3) . ?
C17 C18 1.34(2) . ?
C18 C19 1.38(2) . ?
C19 C20 1.50(2) . ?
C21 C22 1.47(2) . ?
C22 C23 1.35(2) . ?
C23 C24 1.387(19) . ?
C23 C28 1.41(2) . ?
C24 C25 1.531(19) . ?
C26 C27 1.48(3) . ?
C27 C28 1.42(2) . ?
C28 C29 1.33(2) . ?
C29 C30 1.55(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 W1 O5 100.5(4) . . ?
O3 W1 O6 99.4(4) . . ?
O3 W1 O9 101.6(4) . . ?
O3 W1 O10 168.9(4) . . ?
O3 W1 O11 104.5(4) . . ?
O5 W1 O10 71.4(3) . . ?
O6 W1 O5 88.2(4) . . ?
O6 W1 O9 158.9(3) . . ?
O6 W1 O10 73.3(3) . . ?
O9 W1 O5 85.8(4) . . ?
O9 W1 O10 85.6(3) . . ?
O11 W1 O5 154.9(3) . . ?
O11 W1 O6 89.8(4) . . ?
O11 W1 O9 87.1(4) . . ?
O11 W1 O10 84.2(3) . . ?
O1 W2 O4 101.0(4) . . ?
O1 W2 O5 100.8(4) . . ?
O1 W2 O7 102.2(4) . . ?
O1 W2 O8 103.5(4) . . ?
O1 W2 O10 169.5(3) . . ?
O4 W2 O5 90.3(4) . . ?
O4 W2 O7 156.8(3) . . ?
O4 W2 O10 72.6(3) . . ?
O5 W2 O7 84.3(4) . . ?
O5 W2 O10 71.4(3) . . ?
O7 W2 O10 84.3(3) . . ?
O8 W2 O4 89.0(4) . . ?
O8 W2 O5 155.4(3) . . ?
O8 W2 O7 86.7(3) . . ?
O8 W2 O10 85.0(3) . . ?
O2 W3 O4 103.7(4) . . ?
O2 W3 O6 101.8(4) . . ?
O2 W3 O10 171.0(3) . . ?
O2 W3 O12 102.8(4) . . ?
O2 W3 O13 102.7(4) . . ?
O4 W3 O6 89.8(4) . . ?
O4 W3 O10 70.8(3) . . ?
O6 W3 O10 71.4(3) . . ?
O12 W3 O4 85.5(4) . . ?
O12 W3 O6 155.4(4) . . ?
O12 W3 O10 84.2(3) . . ?
O13 W3 O4 153.4(4) . . ?
O13 W3 O6 87.5(4) . . ?
O13 W3 O10 83.3(3) . . ?
O13 W3 O12 86.1(3) . . ?
O7 W4 O20 92.4(4) . . ?
O7 W4 O21 88.5(3) . . ?
O7 W4 O26 82.3(3) . . ?
O7 W4 O33 163.3(3) . . ?
O15 W4 O7 99.0(4) . . ?
O15 W4 O20 100.1(4) . . ?
O15 W4 O21 102.8(4) . . ?
O15 W4 O26 173.4(3) . . ?
O15 W4 O33 97.2(4) . . ?
O20 W4 O26 73.3(3) . . ?
O20 W4 O33 88.3(3) . . ?
O21 W4 O20 156.6(3) . . ?
O21 W4 O26 83.7(3) . . ?
O21 W4 O33 84.4(3) . . ?
O33 W4 O26 81.9(3) . . ?
O9 W5 O20 91.1(4) . . ?
O9 W5 O26 82.1(3) . . ?
O9 W5 O31 163.5(3) . . ?
O16 W5 O9 99.3(4) . . ?
O16 W5 O20 99.6(4) . . ?
O16 W5 O25 104.0(4) . . ?
O16 W5 O26 172.1(4) . . ?
O16 W5 O31 97.0(4) . . ?
O20 W5 O26 72.6(3) . . ?
O20 W5 O31 88.5(3) . . ?
O25 W5 O9 88.3(4) . . ?
O25 W5 O20 156.1(3) . . ?
O25 W5 O26 83.7(3) . . ?
O25 W5 O31 85.4(3) . . ?
O31 W5 O26 82.1(3) . . ?
O11 W6 O27 79.3(3) . . ?
O17 W6 O11 95.1(4) . . ?
O17 W6 O24 97.7(4) . . ?
O17 W6 O25 102.5(4) . . ?
O17 W6 O27 169.9(4) . . ?
O17 W6 O29 101.9(4) . . ?
O24 W6 O11 85.8(3) . . ?
O24 W6 O27 73.7(3) . . ?
O25 W6 O11 82.7(3) . . ?
O25 W6 O24 157.5(3) . . ?
O25 W6 O27 85.2(3) . . ?
O29 W6 O11 162.9(3) . . ?
O29 W6 O24 93.5(3) . . ?
O29 W6 O25 91.9(3) . . ?
O29 W6 O27 84.1(3) . . ?
O13 W7 O27 82.3(3) . . ?
O18 W7 O13 97.5(4) . . ?
O18 W7 O23 102.5(4) . . ?
O18 W7 O24 99.8(4) . . ?
O18 W7 O27 172.7(3) . . ?
O18 W7 O30 99.5(4) . . ?
O23 W7 O13 85.1(3) . . ?
O23 W7 O27 84.8(3) . . ?
O24 W7 O13 89.5(3) . . ?
O24 W7 O23 157.6(3) . . ?
O24 W7 O27 72.9(3) . . ?
O30 W7 O13 162.8(3) . . ?
O30 W7 O23 88.7(3) . . ?
O30 W7 O24 90.2(3) . . ?
O30 W7 O27 81.2(3) . . ?
O12 W8 O28 83.5(3) . . ?
O12 W8 O32 163.7(3) . . ?
O19 W8 O12 98.6(4) . . ?
O19 W8 O22 101.3(4) . . ?
O19 W8 O23 102.4(4) . . ?
O19 W8 O28 172.9(3) . . ?
O19 W8 O32 97.5(4) . . ?
O22 W8 O12 91.8(3) . . ?
O22 W8 O23 156.2(3) . . ?
O22 W8 O28 71.7(3) . . ?
O22 W8 O32 87.2(3) . . ?
O23 W8 O12 85.9(3) . . ?
O23 W8 O28 84.5(3) . . ?
O23 W8 O32 88.6(3) . . ?
O32 W8 O28 80.8(3) . . ?
O8 W9 O28 79.8(3) . . ?
O14 W9 O8 94.5(3) . . ?
O14 W9 O21 101.6(4) . . ?
O14 W9 O22 99.2(4) . . ?
O14 W9 O28 170.3(3) . . ?
O14 W9 O34 101.2(4) . . ?
O21 W9 O8 83.7(3) . . ?
O21 W9 O22 157.4(3) . . ?
O21 W9 O28 85.8(3) . . ?
O22 W9 O8 85.8(3) . . ?
O22 W9 O28 72.6(3) . . ?
O34 W9 O8 164.2(3) . . ?
O34 W9 O21 92.5(3) . . ?
O34 W9 O22 92.2(3) . . ?
O34 W9 O28 84.6(3) . . ?
O34 W10 O49 80.2(3) . . ?
O40 W10 O34 84.3(3) . . ?
O40 W10 O49 71.6(3) . . ?
O41 W10 O34 96.0(3) . . ?
O41 W10 O40 101.6(3) . . ?
O41 W10 O42 102.3(3) . . ?
O41 W10 O49 172.4(3) . . ?
O41 W10 O54 100.6(3) . . ?
O42 W10 O34 85.3(3) . . ?
O42 W10 O40 154.8(3) . . ?
O42 W10 O49 84.0(3) . . ?
O54 W10 O34 163.3(3) . . ?
O54 W10 O40 91.0(3) . . ?
O54 W10 O42 92.4(3) . . ?
O54 W10 O49 83.2(3) . . ?
O32 W11 O38 88.5(3) . . ?
O32 W11 O49 87.6(3) . . ?
O32 W11 O56 167.6(3) . 2_565 ?
O38 W11 O49 83.7(3) . . ?
O38 W11 O56 85.5(3) . 2_565 ?
O39 W11 O32 97.0(3) . . ?
O39 W11 O38 101.5(3) . . ?
O39 W11 O40 99.4(3) . . ?
O39 W11 O49 173.2(3) . . ?
O39 W11 O56 94.9(3) . 2_565 ?
O40 W11 O32 90.7(3) . . ?
O40 W11 O38 159.0(3) . . ?
O40 W11 O49 75.3(3) . . ?
O40 W11 O56 91.0(3) . 2_565 ?
O56 W11 O49 80.9(3) 2_565 . ?
O30 W12 O38 87.6(3) . . ?
O30 W12 O47 86.3(3) . . ?
O30 W12 O51 166.4(3) . . ?
O36 W12 O30 89.5(3) . . ?
O36 W12 O38 158.0(3) . . ?
O36 W12 O47 75.1(3) . . ?
O36 W12 O51 91.8(3) . . ?
O37 W12 O30 96.8(3) . . ?
O37 W12 O36 102.1(3) . . ?
O37 W12 O38 99.8(3) . . ?
O37 W12 O47 175.9(3) . . ?
O37 W12 O51 96.2(3) . . ?
O38 W12 O47 82.9(3) . . ?
O38 W12 O51 86.1(3) . . ?
O51 W12 O47 80.9(3) . . ?
O29 W13 O47 81.0(3) . . ?
O35 W13 O29 96.1(3) . . ?
O35 W13 O36 101.7(3) . . ?
O35 W13 O46 102.8(3) . . ?
O35 W13 O47 172.9(3) . . ?
O35 W13 O50 100.5(4) . . ?
O36 W13 O29 84.4(3) . . ?
O36 W13 O47 71.6(3) . . ?
O46 W13 O29 85.4(3) . . ?
O46 W13 O36 154.3(3) . . ?
O46 W13 O47 83.5(3) . . ?
O50 W13 O29 163.4(3) . . ?
O50 W13 O36 91.1(3) . . ?
O50 W13 O46 92.0(3) . . ?
O50 W13 O47 82.4(3) . . ?
O31 W14 O44 90.5(3) . . ?
O31 W14 O46 92.9(3) . . ?
O31 W14 O48 86.2(3) . . ?
O31 W14 O53 163.1(3) . . ?
O44 W14 O48 73.4(3) . . ?
O44 W14 O53 82.9(3) . . ?
O45 W14 O31 100.9(4) . . ?
O45 W14 O44 101.0(3) . . ?
O45 W14 O46 100.4(3) . . ?
O45 W14 O48 171.1(3) . . ?
O45 W14 O53 95.5(3) . . ?
O46 W14 O44 157.4(3) . . ?
O46 W14 O48 84.5(3) . . ?
O46 W14 O53 87.6(3) . . ?
O53 W14 O48 77.1(3) . . ?
O33 W15 O42 92.9(3) . . ?
O33 W15 O44 91.1(3) . . ?
O33 W15 O48 86.8(3) . . ?
O33 W15 O55 163.7(3) . . ?
O42 W15 O44 158.3(3) . . ?
O42 W15 O48 84.8(3) . . ?
O42 W15 O55 87.6(3) . . ?
O43 W15 O33 102.1(4) . . ?
O43 W15 O42 100.9(3) . . ?
O43 W15 O44 99.1(3) . . ?
O43 W15 O48 169.1(3) . . ?
O43 W15 O55 93.8(3) . . ?
O44 W15 O48 74.1(3) . . ?
O44 W15 O55 82.7(3) . . ?
O55 W15 O48 77.0(3) . . ?
O51 W16 O52 78.0(3) 2_565 . ?
O53 W16 O51 161.9(3) . 2_565 ?
O53 W16 O52 84.6(3) . . ?
O53 W16 O56 89.8(3) . . ?
O55 W16 O51 90.0(3) . 2_565 ?
O55 W16 O52 84.1(3) . . ?
O55 W16 O53 93.1(3) . . ?
O55 W16 O56 161.3(3) . . ?
O56 W16 O51 81.7(3) . 2_565 ?
O56 W16 O52 77.8(3) . . ?
O57 W16 O51 96.5(3) . 2_565 ?
O57 W16 O52 173.3(3) . . ?
O57 W16 O53 100.5(3) . . ?
O57 W16 O55 99.8(3) . . ?
O57 W16 O56 97.8(3) . . ?
O50 Co1 O51 101.4(3) 2_565 2_565 ?
O50 Co1 O52 92.4(3) 2_565 2_565 ?
O50 Co1 O52 176.8(3) 2_565 . ?
O50 Co1 O54 91.5(3) 2_565 . ?
O50 Co1 O56 90.5(3) 2_565 2_565 ?
O51 Co1 O52 89.7(3) 2_565 2_565 ?
O51 Co1 O52 78.0(3) 2_565 . ?
O52 Co1 O52 84.5(3) . 2_565 ?
O54 Co1 O51 88.8(3) . 2_565 ?
O54 Co1 O52 176.0(3) . 2_565 ?
O54 Co1 O52 91.6(3) . . ?
O54 Co1 O56 102.7(3) . 2_565 ?
O56 Co1 O51 163.3(3) 2_565 2_565 ?
O56 Co1 O52 78.0(3) 2_565 2_565 ?
O56 Co1 O52 89.4(3) 2_565 . ?
O26 P1 O10 106.8(4) . . ?
O27 P1 O10 105.8(4) . . ?
O27 P1 O26 112.9(4) . . ?
O27 P1 O28 111.4(4) . . ?
O28 P1 O10 107.1(4) . . ?
O28 P1 O26 112.2(4) . . ?
O47 P2 O48 111.6(4) . . ?
O47 P2 O49 111.7(4) . . ?
O47 P2 O52 106.6(4) . . ?
O48 P2 O52 107.8(4) . . ?
O49 P2 O48 111.8(4) . . ?
O49 P2 O52 107.1(4) . . ?
W2 O4 W3 126.8(5) . . ?
W2 O5 W1 124.5(4) . . ?
W1 O6 W3 124.5(4) . . ?
W4 O7 W2 148.2(5) . . ?
W2 O8 W9 151.8(4) . . ?
W5 O9 W1 147.6(5) . . ?
W1 O10 W2 92.5(2) . . ?
W1 O10 W3 90.7(2) . . ?
W2 O10 W3 89.6(2) . . ?
P1 O10 W1 124.4(4) . . ?
P1 O10 W2 123.5(4) . . ?
P1 O10 W3 125.8(4) . . ?
W1 O11 W6 152.0(4) . . ?
W3 O12 W8 151.3(5) . . ?
W3 O13 W7 151.2(4) . . ?
W4 O20 W5 124.0(4) . . ?
W9 O21 W4 151.9(4) . . ?
W8 O22 W9 124.9(4) . . ?
W8 O23 W7 151.0(4) . . ?
W7 O24 W6 122.4(4) . . ?
W5 O25 W6 153.2(5) . . ?
W4 O26 W5 90.1(2) . . ?
P1 O26 W4 128.3(4) . . ?
P1 O26 W5 128.0(4) . . ?
W6 O27 W7 90.2(3) . . ?
P1 O27 W6 129.3(4) . . ?
P1 O27 W7 128.8(4) . . ?
W9 O28 W8 90.5(2) . . ?
P1 O28 W8 127.5(4) . . ?
P1 O28 W9 129.2(4) . . ?
W6 O29 W13 164.7(5) . . ?
W7 O30 W12 164.1(4) . . ?
W14 O31 W5 164.5(5) . . ?
W11 O32 W8 162.6(4) . . ?
W15 O33 W4 164.5(5) . . ?
W9 O34 W10 163.3(4) . . ?
W12 O36 W13 122.9(4) . . ?
W11 O38 W12 153.4(4) . . ?
W11 O40 W10 121.7(4) . . ?
W10 O42 W15 154.3(4) . . ?
W14 O44 W15 121.8(4) . . ?
W14 O46 W13 155.5(4) . . ?
W12 O47 W13 90.4(2) . . ?
P2 O47 W12 132.2(4) . . ?
P2 O47 W13 128.0(4) . . ?
W15 O48 W14 90.2(2) . . ?
P2 O48 W14 128.3(4) . . ?
P2 O48 W15 128.7(4) . . ?
W11 O49 W10 91.3(2) . . ?
P2 O49 W10 127.1(4) . . ?
P2 O49 W11 131.9(4) . . ?
W13 O50 Co1 134.8(4) . 2_565 ?
W12 O51 W16 124.9(4) . 2_565 ?
W12 O51 Co1 126.1(3) . 2_565 ?
W16 O51 Co1 107.2(3) 2_565 2_565 ?
Co1 O52 W16 96.2(3) . . ?
Co1 O52 W16 95.7(3) 2_565 . ?
Co1 O52 Co1 95.5(3) . 2_565 ?
P2 O52 W16 123.9(4) . . ?
P2 O52 Co1 119.6(4) . 2_565 ?
P2 O52 Co1 119.6(4) . . ?
W16 O53 W14 142.0(4) . . ?
W10 O54 Co1 133.3(4) . . ?
W16 O55 W15 142.3(4) . . ?
W11 O56 W16 125.0(3) 2_565 . ?
W11 O56 Co1 125.9(3) 2_565 2_565 ?
W16 O56 Co1 107.6(3) . 2_565 ?
C2 N1 N2 106.6(12) . . ?
N1 N2 C4 111.3(12) . . ?
N4 N3 C9 111.6(11) . . ?
N3 N4 C7 108.3(11) . . ?
N6 N5 C14 107.8(14) . . ?
N5 N6 C12 114.1(15) . . ?
N8 N7 C19 109.0(15) . . ?
N7 N8 C17 109.9(16) . . ?
C22 N9 N10 108.5(14) . . ?
C24 N10 N9 107.9(14) . . ?
N12 N11 C29 106.3(16) . . ?
N11 N12 C27 112.2(16) . . ?
N1 C2 C1 117.0(14) . . ?
N1 C2 C3 110.7(14) . . ?
C3 C2 C1 132.2(13) . . ?
C2 C3 C4 106.2(12) . . ?
C2 C3 C8 127.4(12) . . ?
C4 C3 C8 126.4(12) . . ?
N2 C4 C3 105.1(14) . . ?
N2 C4 C5 125.3(14) . . ?
C3 C4 C5 129.5(13) . . ?
N4 C7 C6 120.5(11) . . ?
N4 C7 C8 106.9(11) . . ?
C8 C7 C6 132.6(11) . . ?
C7 C8 C3 125.1(11) . . ?
C9 C8 C3 129.0(11) . . ?
C9 C8 C7 105.9(10) . . ?
N3 C9 C8 107.4(11) . . ?
N3 C9 C10 122.8(12) . . ?
C8 C9 C10 129.8(12) . . ?
N6 C12 C11 126.2(19) . . ?
N6 C12 C13 103.9(16) . . ?
C13 C12 C11 129.8(18) . . ?
C12 C13 C14 108.6(14) . . ?
C12 C13 C18 126.3(15) . . ?
C14 C13 C18 125.1(14) . . ?
N5 C14 C13 105.6(15) . . ?
N5 C14 C15 122.4(16) . . ?
C13 C14 C15 132.0(15) . . ?
N8 C17 C16 122.3(19) . . ?
C18 C17 N8 107.8(17) . . ?
C18 C17 C16 129.5(18) . . ?
C17 C18 C13 127.1(16) . . ?
C17 C18 C19 106.1(16) . . ?
C19 C18 C13 126.5(15) . . ?
N7 C19 C18 107.2(16) . . ?
N7 C19 C20 123.5(16) . . ?
C18 C19 C20 128.7(15) . . ?
N9 C22 C21 118.3(17) . . ?
N9 C22 C23 107.7(14) . . ?
C23 C22 C21 134.0(16) . . ?
C22 C23 C24 106.3(15) . . ?
C22 C23 C28 129.4(14) . . ?
C24 C23 C28 124.3(15) . . ?
N10 C24 C23 109.4(14) . . ?
N10 C24 C25 120.2(14) . . ?
C23 C24 C25 130.3(15) . . ?
N12 C27 C26 120.6(19) . . ?
N12 C27 C28 106.7(17) . . ?
C28 C27 C26 132(2) . . ?
C23 C28 C27 124.0(17) . . ?
C29 C28 C23 130.6(15) . . ?
C29 C28 C27 105.4(15) . . ?
N11 C29 C30 119.3(18) . . ?
C28 C29 N11 108.8(15) . . ?
C28 C29 C30 131.8(15) . . ?

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

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.500 0.500 628 174 ' '
_platon_squeeze_details          ?


# start Validation Reply Form
_vrf_PLAT201_p                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          1 Report
RESPONSE: Structure contain highly disordered CH3 group, so we didn't anisotropically refine C26 atom in this case. 
;
_vrf_PLAT306_p                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O2W Check 
RESPONSE: We have tried to theoretically add the H-atoms for water molecules in the crystal structure, but this is unsuccessful. Due to the highly disordered water solvents in the void, we have used PLATON/SQUEEZE program to substract the contributions from these solvents, thus it is impossible to find the reasonable H-bonding directions and H-bonding donors around the cluster for the H atoms on water, which will bring some of B alerts in the checkcif relating to the missed H-bonding donor or acceptor. Anyway, this issues will not influence us to recognize the main body of cluster as well as their properties in this work. 
;
_vrf_PLAT342_p                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02374 Ang.  
RESPONSE:Moderate crystal quality in context with many disordered solvents, 
hence only small amount of reflections have I>2sigma(I) 
;
_vrf_PLAT430_p                   
;
PROBLEM: Short Inter D...A Contact  O3WA   ..  O2W     ..       2.73 Ang.  
RESPONSE: There are H-bonding between them, but adding H atoms for them is not possible due to the large disorder water which has been removed by PLATON/SQUEEZE program.
;
####################################################################### 
# 
# 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_p2
_database_code_depnum_ccdc_archive 'CCDC 1449924'
_audit_update_record             
;
2016-04-05 deposited with the CCDC.
2016-04-11 downloaded from the CCDC.
;
_audit_creation_date             2016-04-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Co3 O114 P4 W31, 6(C10 H16 N4), 12(O)'
_chemical_formula_sum            'C60 H96 Co3 N24 O126 P4 W31'
_chemical_formula_weight         9169.62
_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'
Co Co 0.3494 0.9721 '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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   24.592(3)
_cell_length_b                   14.2596(17)
_cell_length_c                   24.846(3)
_cell_angle_alpha                90
_cell_angle_beta                 111.4003(10)
_cell_angle_gamma                90
_cell_volume                     8112.0(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5428
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.279
_cell_measurement_theta_min      2.454
_shelx_estimated_absorpt_T_max   0.401
_shelx_estimated_absorpt_T_min   0.214
_exptl_absorpt_coefficient_mu    22.327
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0733 before and 0.0511 after correction.
The Ratio of minimum to maximum transmission is 0.8059.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    3.754
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8134
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   0.7456
_exptl_transmission_factor_min   0.6009
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_unetI/netI     0.0716
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            45258
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.451
_diffrn_ambient_temperature      298.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Apex II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10803
_reflns_number_total             15970
_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_data_collection       'APEX2 (Bruker,2005)'
_computing_cell_refinement       'APEX2 (Bruker,2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'DIAMOND  (Brandenburg, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_refine_diff_density_max         2.514
_refine_diff_density_min         -2.903
_refine_diff_density_rms         0.324
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1136
_refine_ls_number_reflns         15970
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0411
_refine_ls_restrained_S_all      1.020
_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)+(0.0381P)²+7.8885P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0987
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{Co1, W1}
3. Uiso/Uaniso restraints and constraints
Uanis(N2) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.2
Uanis(Co1) = Uanis(W1)
4. Others
 Fixed Sof: W1(0.5) Co1(0.5) O6W(0.5) O6WA(0.5)
5.a Me refined with riding coordinates:
 C20(H20A,H20B,H20C), C6(H6A,H6B,H6C)
5.b Aromatic/amide H refined with riding coordinates:
 N5(H5), N6(H6), N7(H7), N8(H8), N1(H1), N2(H2), N3(H3), N4(H4), N9(H9),
 N10(H10), N11(H11), N12(H12)
5.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C1(H1A,H1B,
 H1C), C5(H5A,H5B,H5C), C10(H10A,H10B,H10C), C21(H21A,H21B,H21C), C25(H25A,H25B,
 H25C), C26(H26A,H26B,H26C), C30(H30A,H30B,H30C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W -0.02237(3) 0.65098(5) 0.41485(4) 0.01422(18) Uani 0.5 1 d . . P . .
W2 W 0.13034(3) 0.66882(4) 0.48855(3) 0.02185(14) Uani 1 1 d . . . . .
W3 W 0.06686(2) 0.49571(4) 0.37243(2) 0.02016(13) Uani 1 1 d . . . . .
W4 W 0.05621(3) 0.27000(4) 0.40387(3) 0.03119(16) Uani 1 1 d . . . . .
W5 W 0.12566(3) 0.19016(4) 0.55490(3) 0.02273(14) Uani 1 1 d . . . . .
W6 W 0.18063(3) 0.34778(4) 0.66106(3) 0.02347(14) Uani 1 1 d . . . . .
W7 W 0.17797(3) 0.59901(4) 0.62746(3) 0.02877(15) Uani 1 1 d . . . . .
W8 W 0.32923(3) 0.31401(4) 0.65199(3) 0.02606(15) Uani 1 1 d . . . . .
W9 W 0.32691(3) 0.56557(4) 0.61707(3) 0.02706(15) Uani 1 1 d . . . . .
W10 W 0.27760(3) 0.63531(4) 0.47861(3) 0.02602(15) Uani 1 1 d . . . . .
W11 W 0.21352(3) 0.46186(4) 0.36207(3) 0.02404(14) Uani 1 1 d . . . . .
W12 W 0.20788(3) 0.23715(4) 0.39582(3) 0.02539(14) Uani 1 1 d . . . . .
W13 W 0.27436(3) 0.15506(4) 0.54637(3) 0.02705(15) Uani 1 1 d . . . . .
W14 W 0.37304(3) 0.46878(4) 0.44152(3) 0.02474(14) Uani 1 1 d . . . . .
W15 W 0.37149(3) 0.23749(4) 0.47417(3) 0.02587(15) Uani 1 1 d . . . . .
W16 W 0.42784(3) 0.40179(4) 0.58206(3) 0.02593(14) Uani 1 1 d . . . . .
Co1 Co -0.02237(3) 0.65098(5) 0.41485(4) 0.01422(18) Uani 0.5 1 d . . P . .
Co2 Co -0.02795(8) 0.42596(12) 0.44914(8) 0.0170(4) Uani 1 1 d . . . . .
P1 P 0.11434(14) 0.4298(2) 0.51853(15) 0.0135(7) Uani 1 1 d . . . . .
P2 P 0.27698(15) 0.3930(2) 0.50869(15) 0.0160(7) Uani 1 1 d . . . . .
O1 O 0.4058(4) 0.1455(7) 0.4549(4) 0.032(3) Uani 1 1 d . . . . .
O2 O 0.4976(4) 0.4077(7) 0.6305(4) 0.029(2) Uani 1 1 d . . . . .
O3 O 0.4345(4) 0.2856(6) 0.5429(4) 0.026(2) Uani 1 1 d . . . . .
O4 O 0.3930(4) 0.3379(6) 0.4343(4) 0.025(2) Uani 1 1 d . . . . .
O5 O 0.4369(4) 0.4654(6) 0.5176(4) 0.023(2) Uani 1 1 d . . . . .
O6 O 0.4077(4) 0.5203(6) 0.4007(4) 0.029(2) Uani 1 1 d . . . . .
O7 O 0.2979(4) 0.2358(6) 0.4196(4) 0.022(2) Uani 1 1 d . . . . .
O8 O 0.3409(4) 0.1790(6) 0.5272(4) 0.021(2) Uani 1 1 d . . . . .
O9 O 0.2986(4) 0.4472(6) 0.3871(4) 0.021(2) Uani 1 1 d . . . . .
O10 O 0.3386(4) 0.3798(6) 0.5041(4) 0.021(2) Uani 1 1 d . . . . .
O11 O 0.3919(4) 0.3270(6) 0.6248(4) 0.022(2) Uani 1 1 d . . . . .
O12 O 0.3437(4) 0.5720(6) 0.4691(4) 0.023(2) Uani 1 1 d . . . . .
O13 O 0.3927(4) 0.5032(6) 0.6003(4) 0.024(2) Uani 1 1 d . . . . .
O14 O 0.1995(4) 0.1383(7) 0.3529(4) 0.029(2) Uani 1 1 d . . . . .
O15 O 0.2775(4) 0.0365(6) 0.5500(4) 0.033(3) Uani 1 1 d . . . . .
O16 O 0.3696(4) 0.2907(7) 0.7225(4) 0.031(2) Uani 1 1 d . . . . .
O17 O 0.3697(4) 0.6263(7) 0.6767(4) 0.032(3) Uani 1 1 d . . . . .
O18 O 0.2868(5) 0.7397(7) 0.4506(4) 0.034(3) Uani 1 1 d . . . . .
O19 O 0.2022(4) 0.5094(7) 0.2960(4) 0.029(2) Uani 1 1 d . . . . .
O20 O 0.3156(4) 0.1880(6) 0.6243(4) 0.022(2) Uani 1 1 d . . . . .
O21 O 0.3235(4) 0.4463(6) 0.6503(4) 0.022(2) Uani 1 1 d . . . . .
O22 O 0.3243(4) 0.6538(6) 0.5571(4) 0.024(2) Uani 1 1 d . . . . .
O23 O 0.2324(4) 0.5670(6) 0.4115(4) 0.024(2) Uani 1 1 d . . . . .
O24 O 0.2092(4) 0.3311(6) 0.3424(4) 0.017(2) Uani 1 1 d . . . . .
O25 O 0.2284(4) 0.1776(6) 0.4702(4) 0.020(2) Uani 1 1 d . . . . .
O26 O 0.2739(4) 0.3216(6) 0.5528(4) 0.016(2) Uani 1 1 d . . . . .
O27 O 0.2740(4) 0.4932(6) 0.5272(4) 0.022(2) Uani 1 1 d . . . . .
O28 O 0.2313(4) 0.3743(6) 0.4493(4) 0.022(2) Uani 1 1 d . . . . .
O29 O 0.2011(4) 0.1672(6) 0.5613(4) 0.024(2) Uani 1 1 d . . . . .
O30 O 0.2537(4) 0.3132(6) 0.6583(4) 0.023(2) Uani 1 1 d . . . . .
O31 O 0.1335(4) 0.2588(6) 0.3896(4) 0.018(2) Uani 1 1 d . . . . .
O32 O 0.1401(4) 0.4614(6) 0.3632(4) 0.023(2) Uani 1 1 d . . . . .
O33 O 0.2549(4) 0.5954(6) 0.6142(4) 0.019(2) Uani 1 1 d . . . . .
O34 O 0.2096(4) 0.6593(6) 0.4939(4) 0.024(2) Uani 1 1 d . . . . .
O35 O 0.1161(4) 0.7785(6) 0.4610(4) 0.027(2) Uani 1 1 d . . . . .
O36 O 0.1565(4) 0.6968(6) 0.5686(4) 0.020(2) Uani 1 1 d . . . . .
O37 O 0.2028(4) 0.6635(7) 0.6898(4) 0.030(2) Uani 1 1 d . . . . .
O38 O 0.1969(4) 0.4749(6) 0.6568(4) 0.022(2) Uani 1 1 d . . . . .
O39 O 0.1961(4) 0.3340(7) 0.7329(4) 0.028(2) Uani 1 1 d . . . . .
O40 O 0.1529(4) 0.2237(6) 0.6351(4) 0.019(2) Uani 1 1 d . . . . .
O41 O 0.1013(4) 0.0785(6) 0.5589(4) 0.021(2) Uani 1 1 d . . . . .
O42 O 0.0990(4) 0.2076(6) 0.4757(4) 0.021(2) Uani 1 1 d . . . . .
O43 O 0.0227(4) 0.1786(6) 0.3613(4) 0.025(2) Uani 1 1 d . . . . .
O44 O 0.0397(4) 0.3716(6) 0.3497(4) 0.021(2) Uani 1 1 d . . . . .
O45 O 0.0388(4) 0.5523(6) 0.3080(4) 0.022(2) Uani 1 1 d . . . . .
O46 O 0.1102(4) 0.5915(6) 0.4220(4) 0.019(2) Uani 1 1 d . . . . .
O47 O 0.1469(4) 0.3517(6) 0.5588(4) 0.021(2) Uani 1 1 d . . . . .
O48 O 0.1467(4) 0.5229(6) 0.5358(4) 0.019(2) Uani 1 1 d . . . . .
O49 O 0.1034(4) 0.4046(6) 0.4554(4) 0.019(2) Uani 1 1 d . . . . .
O50 O 0.0003(4) 0.3047(6) 0.4291(4) 0.020(2) Uani 1 1 d . . . . .
O51 O 0.0526(4) 0.4403(6) 0.5242(4) 0.020(2) Uani 1 1 d . . . . .
O52 O 0.0045(4) 0.5200(6) 0.4015(4) 0.017(2) Uani 1 1 d . . . . .
O53 O 0.1029(4) 0.5856(6) 0.6182(4) 0.021(2) Uani 1 1 d . . . . .
O54 O 0.0498(4) 0.6431(6) 0.4850(4) 0.019(2) Uani 1 1 d . . . . .
O55 O -0.0973(4) 0.6191(6) 0.3609(4) 0.022(2) Uani 1 1 d . . . . .
O56 O -0.0516(4) 0.7480(6) 0.4454(4) 0.021(2) Uani 1 1 d . . . . .
O57 O 0.0037(4) 0.7108(7) 0.3705(4) 0.027(2) Uani 1 1 d . . . . .
N5 N 0.4794(7) 0.7461(10) 0.6561(8) 0.056(4) Uani 1 1 d . . . . .
H5 H 0.5066 0.7048 0.6685 0.067 Uiso 1 1 calc R . . . .
N6 N 0.4545(6) 0.7746(11) 0.6011(7) 0.049(4) Uani 1 1 d . . . . .
H6 H 0.4641 0.7552 0.5730 0.058 Uiso 1 1 calc R . . . .
N7 N 0.3416(11) 1.0248(13) 0.7051(10) 0.092(7) Uani 1 1 d . . . . .
H7 H 0.3400 1.0737 0.7247 0.111 Uiso 1 1 calc R . . . .
N8 N 0.2967(9) 0.9689(13) 0.6782(9) 0.076(6) Uani 1 1 d . . . . .
H8 H 0.2615 0.9762 0.6768 0.091 Uiso 1 1 calc R . . . .
C11 C 0.4724(9) 0.7762(14) 0.7506(9) 0.067(6) Uani 1 1 d . . . . .
H11A H 0.4571 0.7173 0.7573 0.101 Uiso 1 1 calc GR . . . .
H11B H 0.4568 0.8260 0.7666 0.101 Uiso 1 1 calc GR . . . .
H11C H 0.5142 0.7757 0.7688 0.101 Uiso 1 1 calc GR . . . .
C12 C 0.4558(8) 0.7911(13) 0.6878(9) 0.049(5) Uani 1 1 d . . . . .
C13 C 0.4129(8) 0.8498(12) 0.6505(8) 0.042(4) Uani 1 1 d . . . . .
C14 C 0.4132(7) 0.8364(12) 0.5962(9) 0.044(5) Uani 1 1 d . . . . .
C15 C 0.3801(10) 0.8785(14) 0.5422(10) 0.076(7) Uani 1 1 d . . . . .
H15A H 0.3958 0.9393 0.5399 0.115 Uiso 1 1 calc GR . . . .
H15B H 0.3401 0.8849 0.5391 0.115 Uiso 1 1 calc GR . . . .
H15C H 0.3819 0.8398 0.5113 0.115 Uiso 1 1 calc GR . . . .
C16 C 0.2742(10) 0.8264(18) 0.6205(11) 0.099(9) Uani 1 1 d . . . . .
H16A H 0.2806 0.7701 0.6432 0.148 Uiso 1 1 calc GR . . . .
H16B H 0.2809 0.8140 0.5855 0.148 Uiso 1 1 calc GR . . . .
H16C H 0.2347 0.8471 0.6113 0.148 Uiso 1 1 calc GR . . . .
C17 C 0.3152(10) 0.9007(13) 0.6540(10) 0.063(6) Uani 1 1 d . . . . .
C18 C 0.3748(9) 0.9138(12) 0.6683(9) 0.055(6) Uani 1 1 d . . . . .
C19 C 0.3897(12) 0.9948(15) 0.6975(12) 0.082(8) Uani 1 1 d . . . . .
C20 C 0.4437(15) 1.041(2) 0.7204(18) 0.19(2) Uani 1 1 d . . . . .
H20A H 0.4723 1.0080 0.7099 0.292 Uiso 1 1 calc R . . . .
H20B H 0.4397 1.1039 0.7053 0.292 Uiso 1 1 calc R . . . .
H20C H 0.4561 1.0438 0.7618 0.292 Uiso 1 1 calc R . . . .
N1 N 0.6749(7) -0.0814(9) 0.6983(7) 0.049(4) Uani 1 1 d . . . . .
H1 H 0.6726 -0.1352 0.7129 0.059 Uiso 1 1 calc R . . . .
N2 N 0.7181(6) -0.0555(9) 0.6834(6) 0.044(4) Uani 1 1 d . U . . .
H2 H 0.7486 -0.0886 0.6876 0.052 Uiso 1 1 calc R . . . .
N3 N 0.5500(7) 0.2355(10) 0.5909(6) 0.050(4) Uani 1 1 d . . . . .
H3 H 0.5168 0.2554 0.5675 0.060 Uiso 1 1 calc R . . . .
N4 N 0.5917(6) 0.2903(9) 0.6225(7) 0.042(4) Uani 1 1 d . . . . .
H4 H 0.5909 0.3506 0.6238 0.051 Uiso 1 1 calc R . . . .
C1 C 0.7469(11) 0.0809(19) 0.6384(14) 0.134(14) Uani 1 1 d . . . . .
H1A H 0.7758 0.1137 0.6695 0.201 Uiso 1 1 calc GR . . . .
H1B H 0.7245 0.1250 0.6097 0.201 Uiso 1 1 calc GR . . . .
H1C H 0.7658 0.0374 0.6214 0.201 Uiso 1 1 calc GR . . . .
C2 C 0.7080(8) 0.0298(12) 0.6607(8) 0.050(5) Uani 1 1 d . . . . .
C3 C 0.6545(7) 0.0573(11) 0.6629(7) 0.035(4) Uani 1 1 d . . . . .
C4 C 0.6361(8) -0.0167(12) 0.6885(8) 0.043(4) Uani 1 1 d . . . . .
C5 C 0.5844(9) -0.0234(13) 0.7032(10) 0.069(7) Uani 1 1 d . . . . .
H5A H 0.5637 -0.0802 0.6873 0.104 Uiso 1 1 calc GR . . . .
H5B H 0.5595 0.0295 0.6875 0.104 Uiso 1 1 calc GR . . . .
H5C H 0.5956 -0.0240 0.7444 0.104 Uiso 1 1 calc GR . . . .
C6 C 0.5247(9) 0.0689(12) 0.5671(9) 0.081(8) Uani 1 1 d . . . . .
H6A H 0.5434 0.0094 0.5792 0.121 Uiso 1 1 calc R . . . .
H6B H 0.4894 0.0713 0.5752 0.121 Uiso 1 1 calc R . . . .
H6C H 0.5155 0.0767 0.5264 0.121 Uiso 1 1 calc R . . . .
C7 C 0.5643(7) 0.1450(13) 0.5988(7) 0.042(4) Uani 1 1 d . . . . .
C8 C 0.6205(7) 0.1428(11) 0.6391(7) 0.034(4) Uani 1 1 d . . . . .
C9 C 0.6365(7) 0.2341(12) 0.6529(8) 0.040(4) Uani 1 1 d . . . . .
C10 C 0.6904(9) 0.2796(16) 0.6938(11) 0.096(9) Uani 1 1 d . . . . .
H10A H 0.7198 0.2328 0.7105 0.144 Uiso 1 1 calc GR . . . .
H10B H 0.6816 0.3108 0.7239 0.144 Uiso 1 1 calc GR . . . .
H10C H 0.7046 0.3246 0.6733 0.144 Uiso 1 1 calc GR . . . .
N9 N 0.0445(7) 0.9703(10) 0.4323(6) 0.043(4) Uani 1 1 d . . . . .
H9 H 0.0533 0.9840 0.4682 0.052 Uiso 1 1 calc R . . . .
N10 N -0.0072(7) 0.9461(11) 0.3959(7) 0.053(4) Uani 1 1 d . . . . .
H10 H -0.0375 0.9404 0.4051 0.063 Uiso 1 1 calc R . . . .
N11 N 0.1011(6) 0.8782(11) 0.2345(6) 0.046(4) Uani 1 1 d . . . . .
H11 H 0.1109 0.8390 0.2134 0.056 Uiso 1 1 calc R . . . .
N12 N 0.0980(6) 0.9694(11) 0.2264(6) 0.042(4) Uani 1 1 d . . . . .
H12 H 0.1062 0.9985 0.2000 0.051 Uiso 1 1 calc R . . . .
C21 C 0.1448(9) 0.9860(12) 0.4364(8) 0.058(6) Uani 1 1 d . . . . .
H21A H 0.1501 1.0210 0.4710 0.087 Uiso 1 1 calc GR . . . .
H21B H 0.1607 1.0206 0.4125 0.087 Uiso 1 1 calc GR . . . .
H21C H 0.1644 0.9267 0.4465 0.087 Uiso 1 1 calc GR . . . .
C22 C 0.0807(7) 0.9699(11) 0.4041(8) 0.036(4) Uani 1 1 d . . . . .
C23 C 0.0503(8) 0.9495(11) 0.3484(7) 0.037(4) Uani 1 1 d . . . . .
C24 C -0.0072(8) 0.9313(13) 0.3432(8) 0.044(5) Uani 1 1 d . . . . .
C25 C -0.0584(9) 0.9063(15) 0.2939(9) 0.070(6) Uani 1 1 d . . . . .
H25A H -0.0810 0.8610 0.3053 0.105 Uiso 1 1 calc GR . . . .
H25B H -0.0466 0.8800 0.2643 0.105 Uiso 1 1 calc GR . . . .
H25C H -0.0816 0.9613 0.2793 0.105 Uiso 1 1 calc GR . . . .
C26 C 0.0895(12) 0.7563(13) 0.3000(12) 0.108(11) Uani 1 1 d . . . . .
H26A H 0.1144 0.7531 0.3400 0.162 Uiso 1 1 calc GR . . . .
H26B H 0.1046 0.7163 0.2777 0.162 Uiso 1 1 calc GR . . . .
H26C H 0.0508 0.7361 0.2956 0.162 Uiso 1 1 calc GR . . . .
C27 C 0.0872(8) 0.8538(12) 0.2793(8) 0.047(5) Uani 1 1 d . . . . .
C28 C 0.0734(8) 0.9388(12) 0.3002(7) 0.040(4) Uani 1 1 d . . . . .
C29 C 0.0801(6) 1.0099(10) 0.2658(6) 0.027(3) Uani 1 1 d . . . . .
C30 C 0.0751(8) 1.1136(11) 0.2685(7) 0.046(5) Uani 1 1 d . . . . .
H30A H 0.0368 1.1298 0.2672 0.069 Uiso 1 1 calc GR . . . .
H30B H 0.0815 1.1415 0.2361 0.069 Uiso 1 1 calc GR . . . .
H30C H 0.1038 1.1365 0.3038 0.069 Uiso 1 1 calc GR . . . .
O6W O -0.1031(10) 0.1949(15) 0.3323(12) 0.055(7) Uani 0.5 1 d . . P . .
O2W O 0.6848(6) 0.7208(9) 0.6941(6) 0.067(4) Uani 1 1 d . . . . .
O1W O 0.5761(6) 0.6362(10) 0.6754(6) 0.076(5) Uani 1 1 d . . . . .
O3W O 0.7613(7) 0.6100(11) 0.7815(6) 0.082(5) Uani 1 1 d . . . . .
O4W O 0.4799(5) 0.6574(8) 0.5285(5) 0.047(3) Uani 1 1 d . . . . .
O5W O 0.0430(8) 0.8798(10) 0.5364(7) 0.095(6) Uani 1 1 d . . . . .
O6WA O -0.1726(10) 0.047(2) 0.3433(14) 0.077(9) Uani 0.5 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
W1 O51 2.316(8) 3_566 ?
W1 O52 2.047(8) . ?
W1 O54 1.987(9) . ?
W1 O55 1.896(9) . ?
W1 O56 1.846(8) . ?
W1 O57 1.694(9) . ?
W2 O34 1.909(9) . ?
W2 O35 1.692(9) . ?
W2 O36 1.896(9) . ?
W2 O46 1.897(9) . ?
W2 O48 2.351(9) . ?
W2 O54 1.983(8) . ?
W3 O32 1.959(8) . ?
W3 O44 1.903(9) . ?
W3 O45 1.697(9) . ?
W3 O46 1.886(9) . ?
W3 O49 2.323(9) . ?
W3 O52 1.951(8) . ?
W4 O31 2.063(8) . ?
W4 O42 1.927(9) . ?
W4 O43 1.691(9) . ?
W4 O44 1.917(9) . ?
W4 O49 2.364(9) . ?
W4 O50 1.778(8) . ?
W5 O29 1.831(9) . ?
W5 O40 1.918(9) . ?
W5 O41 1.716(9) . ?
W5 O42 1.850(9) . ?
W5 O47 2.356(9) . ?
W5 O56 2.021(8) 3_566 ?
W6 O30 1.888(8) . ?
W6 O38 1.867(9) . ?
W6 O39 1.696(9) . ?
W6 O40 1.921(8) . ?
W6 O47 2.369(9) . ?
W6 O55 1.976(9) 3_566 ?
W7 O33 2.036(8) . ?
W7 O36 1.949(9) . ?
W7 O37 1.711(9) . ?
W7 O38 1.906(9) . ?
W7 O48 2.383(9) . ?
W7 O53 1.786(9) . ?
W8 O11 1.903(8) . ?
W8 O16 1.702(10) . ?
W8 O20 1.909(9) . ?
W8 O21 1.891(9) . ?
W8 O26 2.343(8) . ?
W8 O30 1.921(8) . ?
W9 O13 2.018(9) . ?
W9 O17 1.707(10) . ?
W9 O21 1.905(8) . ?
W9 O22 1.935(9) . ?
W9 O27 2.371(9) . ?
W9 O33 1.797(8) . ?
W10 O12 1.948(9) . ?
W10 O18 1.693(9) . ?
W10 O22 1.885(10) . ?
W10 O23 1.900(10) . ?
W10 O27 2.378(9) . ?
W10 O34 1.877(9) . ?
W11 O9 1.965(9) . ?
W11 O19 1.702(9) . ?
W11 O23 1.886(9) . ?
W11 O24 1.920(8) . ?
W11 O28 2.398(9) . ?
W11 O32 1.815(9) . ?
W12 O7 2.073(9) . ?
W12 O14 1.733(9) . ?
W12 O24 1.895(8) . ?
W12 O25 1.925(9) . ?
W12 O28 2.315(9) . ?
W12 O31 1.805(8) . ?
W13 O8 1.895(8) . ?
W13 O15 1.694(9) . ?
W13 O20 1.888(9) . ?
W13 O25 1.846(9) . ?
W13 O26 2.380(8) . ?
W13 O29 1.977(9) . ?
W14 O4 1.954(9) . ?
W14 O5 1.969(9) . ?
W14 O6 1.710(9) . ?
W14 O9 1.862(9) . ?
W14 O10 2.389(8) . ?
W14 O12 1.876(9) . ?
W15 O1 1.719(9) . ?
W15 O3 1.964(10) . ?
W15 O4 1.922(9) . ?
W15 O7 1.823(9) . ?
W15 O8 1.928(9) . ?
W15 O10 2.402(9) . ?
W16 O2 1.701(10) . ?
W16 O3 1.958(9) . ?
W16 O5 1.922(9) . ?
W16 O10 2.358(9) . ?
W16 O11 1.933(9) . ?
W16 O13 1.825(9) . ?
Co2 O50 1.993(9) . ?
Co2 O51 2.178(9) . ?
Co2 O51 2.176(9) 3_566 ?
Co2 O52 2.126(8) . ?
Co2 O53 1.994(9) 3_566 ?
Co2 O54 2.140(9) 3_566 ?
P1 O47 1.515(10) . ?
P1 O48 1.527(9) . ?
P1 O49 1.533(9) . ?
P1 O51 1.583(9) . ?
P2 O10 1.572(9) . ?
P2 O26 1.517(9) . ?
P2 O27 1.510(9) . ?
P2 O28 1.518(10) . ?
O51 W1 2.316(8) 3_566 ?
O51 Co1 2.316(8) 3_566 ?
O51 Co2 2.176(9) 3_566 ?
O53 Co2 1.994(9) 3_566 ?
O54 Co2 2.140(9) 3_566 ?
O55 W6 1.976(9) 3_566 ?
O56 W5 2.021(8) 3_566 ?
N5 N6 1.34(2) . ?
N5 C12 1.30(2) . ?
N6 C14 1.32(2) . ?
N7 N8 1.33(3) . ?
N7 C19 1.33(3) . ?
N8 C17 1.31(2) . ?
C11 C12 1.48(3) . ?
C12 C13 1.40(2) . ?
C13 C14 1.36(2) . ?
C13 C18 1.48(2) . ?
C14 C15 1.42(3) . ?
C16 C17 1.49(3) . ?
C17 C18 1.39(3) . ?
C18 C19 1.34(3) . ?
C19 C20 1.41(3) . ?
N1 N2 1.300(17) . ?
N1 C4 1.285(19) . ?
N2 C2 1.325(19) . ?
N3 N4 1.301(19) . ?
N3 C7 1.33(2) . ?
N4 C9 1.350(19) . ?
C1 C2 1.46(3) . ?
C2 C3 1.39(2) . ?
C3 C4 1.39(2) . ?
C3 C8 1.47(2) . ?
C4 C5 1.45(2) . ?
C6 C7 1.48(2) . ?
C7 C8 1.38(2) . ?
C8 C9 1.37(2) . ?
C9 C10 1.49(3) . ?
N9 N10 1.309(19) . ?
N9 C22 1.320(18) . ?
N10 C24 1.33(2) . ?
N11 N12 1.314(18) . ?
N11 C27 1.32(2) . ?
N12 C29 1.343(18) . ?
C21 C22 1.50(2) . ?
C22 C23 1.34(2) . ?
C23 C24 1.40(2) . ?
C23 C28 1.51(2) . ?
C24 C25 1.44(3) . ?
C26 C27 1.48(2) . ?
C27 C28 1.41(2) . ?
C28 C29 1.38(2) . ?
C29 C30 1.49(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O52 W1 O51 78.0(3) . 3_566 ?
O54 W1 O51 78.0(3) . 3_566 ?
O54 W1 O52 81.5(3) . . ?
O55 W1 O51 82.3(3) . 3_566 ?
O55 W1 O52 87.4(4) . . ?
O55 W1 O54 159.0(4) . . ?
O56 W1 O51 83.5(3) . 3_566 ?
O56 W1 O52 161.3(4) . . ?
O56 W1 O54 92.2(4) . . ?
O56 W1 O55 92.7(4) . . ?
O57 W1 O51 175.3(4) . 3_566 ?
O57 W1 O52 97.7(4) . . ?
O57 W1 O54 99.8(4) . . ?
O57 W1 O55 99.3(4) . . ?
O57 W1 O56 100.8(4) . . ?
O34 W2 O48 85.3(3) . . ?
O34 W2 O54 165.2(4) . . ?
O35 W2 O34 98.6(4) . . ?
O35 W2 O36 99.8(4) . . ?
O35 W2 O46 103.6(4) . . ?
O35 W2 O48 173.1(4) . . ?
O35 W2 O54 95.5(4) . . ?
O36 W2 O34 89.7(4) . . ?
O36 W2 O46 156.6(4) . . ?
O36 W2 O48 74.4(3) . . ?
O36 W2 O54 92.1(4) . . ?
O46 W2 O34 87.4(4) . . ?
O46 W2 O48 82.2(3) . . ?
O46 W2 O54 85.1(4) . . ?
O54 W2 O48 81.1(3) . . ?
O32 W3 O49 83.7(3) . . ?
O44 W3 O32 88.4(4) . . ?
O44 W3 O49 73.9(4) . . ?
O44 W3 O52 92.1(3) . . ?
O45 W3 O32 94.8(4) . . ?
O45 W3 O44 100.6(4) . . ?
O45 W3 O46 102.1(4) . . ?
O45 W3 O49 174.4(4) . . ?
O45 W3 O52 99.3(4) . . ?
O46 W3 O32 86.2(4) . . ?
O46 W3 O44 157.0(4) . . ?
O46 W3 O49 83.3(3) . . ?
O46 W3 O52 87.9(3) . . ?
O52 W3 O32 165.6(4) . . ?
O52 W3 O49 82.6(3) . . ?
O31 W4 O49 81.7(3) . . ?
O42 W4 O31 84.2(3) . . ?
O42 W4 O49 83.0(3) . . ?
O43 W4 O31 95.8(4) . . ?
O43 W4 O42 101.6(4) . . ?
O43 W4 O44 102.3(4) . . ?
O43 W4 O49 174.6(4) . . ?
O43 W4 O50 99.9(4) . . ?
O44 W4 O31 84.9(3) . . ?
O44 W4 O42 154.6(4) . . ?
O44 W4 O49 72.7(4) . . ?
O50 W4 O31 164.2(4) . . ?
O50 W4 O42 91.9(4) . . ?
O50 W4 O44 92.5(4) . . ?
O50 W4 O49 82.7(3) . . ?
O29 W5 O40 89.7(4) . . ?
O29 W5 O42 94.1(4) . . ?
O29 W5 O47 88.2(4) . . ?
O29 W5 O56 163.9(4) . 3_566 ?
O40 W5 O47 74.1(3) . . ?
O40 W5 O56 82.4(4) . 3_566 ?
O41 W5 O29 101.1(4) . . ?
O41 W5 O40 99.6(4) . . ?
O41 W5 O42 101.0(4) . . ?
O41 W5 O47 168.8(3) . . ?
O41 W5 O56 94.1(4) . 3_566 ?
O42 W5 O40 157.8(4) . . ?
O42 W5 O47 84.2(3) . . ?
O42 W5 O56 88.1(4) . 3_566 ?
O56 W5 O47 76.1(3) 3_566 . ?
O30 W6 O40 88.5(4) . . ?
O30 W6 O47 86.1(4) . . ?
O30 W6 O55 163.1(4) . 3_566 ?
O38 W6 O30 91.4(4) . . ?
O38 W6 O40 158.8(4) . . ?
O38 W6 O47 85.1(3) . . ?
O38 W6 O55 88.6(4) . 3_566 ?
O39 W6 O30 99.0(4) . . ?
O39 W6 O38 101.6(4) . . ?
O39 W6 O40 99.3(4) . . ?
O39 W6 O47 171.3(4) . . ?
O39 W6 O55 97.5(4) . 3_566 ?
O40 W6 O47 73.7(3) . . ?
O40 W6 O55 85.5(4) . 3_566 ?
O55 W6 O47 77.0(3) 3_566 . ?
O33 W7 O48 80.1(3) . . ?
O36 W7 O33 84.8(4) . . ?
O36 W7 O48 72.8(3) . . ?
O37 W7 O33 96.5(4) . . ?
O37 W7 O36 101.8(4) . . ?
O37 W7 O38 101.3(4) . . ?
O37 W7 O48 173.8(4) . . ?
O37 W7 O53 100.7(4) . . ?
O38 W7 O33 85.8(4) . . ?
O38 W7 O36 155.9(4) . . ?
O38 W7 O48 83.7(3) . . ?
O53 W7 O33 162.7(4) . . ?
O53 W7 O36 89.8(4) . . ?
O53 W7 O38 92.7(4) . . ?
O53 W7 O48 82.6(3) . . ?
O11 W8 O20 91.2(4) . . ?
O11 W8 O26 81.8(3) . . ?
O11 W8 O30 164.1(4) . . ?
O16 W8 O11 98.0(4) . . ?
O16 W8 O20 98.4(4) . . ?
O16 W8 O21 103.2(4) . . ?
O16 W8 O26 171.3(4) . . ?
O16 W8 O30 97.7(4) . . ?
O20 W8 O26 72.9(3) . . ?
O20 W8 O30 88.7(4) . . ?
O21 W8 O11 87.6(4) . . ?
O21 W8 O20 158.3(4) . . ?
O21 W8 O26 85.5(3) . . ?
O21 W8 O30 86.6(4) . . ?
O30 W8 O26 83.0(3) . . ?
O13 W9 O27 79.6(3) . . ?
O17 W9 O13 96.6(4) . . ?
O17 W9 O21 100.8(4) . . ?
O17 W9 O22 100.1(4) . . ?
O17 W9 O27 172.1(4) . . ?
O17 W9 O33 101.6(4) . . ?
O21 W9 O13 82.0(4) . . ?
O21 W9 O22 157.0(4) . . ?
O21 W9 O27 85.6(4) . . ?
O22 W9 O13 86.1(4) . . ?
O22 W9 O27 72.9(3) . . ?
O33 W9 O13 161.5(4) . . ?
O33 W9 O21 91.7(4) . . ?
O33 W9 O22 93.5(4) . . ?
O33 W9 O27 82.6(4) . . ?
O12 W10 O27 81.6(3) . . ?
O18 W10 O12 96.6(4) . . ?
O18 W10 O22 100.3(4) . . ?
O18 W10 O23 102.3(4) . . ?
O18 W10 O27 173.6(4) . . ?
O18 W10 O34 100.8(4) . . ?
O22 W10 O12 88.2(4) . . ?
O22 W10 O23 156.9(4) . . ?
O22 W10 O27 73.5(3) . . ?
O23 W10 O12 84.4(4) . . ?
O23 W10 O27 83.7(4) . . ?
O34 W10 O12 162.5(4) . . ?
O34 W10 O22 91.0(4) . . ?
O34 W10 O23 89.5(4) . . ?
O34 W10 O27 81.4(3) . . ?
O9 W11 O28 80.6(3) . . ?
O19 W11 O9 97.3(4) . . ?
O19 W11 O23 103.1(4) . . ?
O19 W11 O24 99.6(4) . . ?
O19 W11 O28 171.9(4) . . ?
O19 W11 O32 101.7(4) . . ?
O23 W11 O9 84.1(4) . . ?
O23 W11 O24 156.2(4) . . ?
O23 W11 O28 84.6(3) . . ?
O24 W11 O9 86.0(4) . . ?
O24 W11 O28 72.5(3) . . ?
O32 W11 O9 160.9(4) . . ?
O32 W11 O23 90.2(4) . . ?
O32 W11 O24 92.1(4) . . ?
O32 W11 O28 80.7(3) . . ?
O7 W12 O28 80.1(3) . . ?
O14 W12 O7 92.4(4) . . ?
O14 W12 O24 99.9(4) . . ?
O14 W12 O25 99.4(4) . . ?
O14 W12 O28 171.2(4) . . ?
O14 W12 O31 101.4(4) . . ?
O24 W12 O7 85.2(3) . . ?
O24 W12 O25 156.7(4) . . ?
O24 W12 O28 74.9(3) . . ?
O25 W12 O7 81.0(3) . . ?
O25 W12 O28 84.2(3) . . ?
O31 W12 O7 165.8(4) . . ?
O31 W12 O24 95.4(4) . . ?
O31 W12 O25 93.5(4) . . ?
O31 W12 O28 86.4(3) . . ?
O8 W13 O26 82.1(3) . . ?
O8 W13 O29 164.2(4) . . ?
O15 W13 O8 99.6(4) . . ?
O15 W13 O20 101.3(4) . . ?
O15 W13 O25 103.2(4) . . ?
O15 W13 O26 173.6(4) . . ?
O15 W13 O29 96.0(4) . . ?
O20 W13 O8 91.3(4) . . ?
O20 W13 O26 72.4(3) . . ?
O20 W13 O29 88.4(4) . . ?
O25 W13 O8 88.4(4) . . ?
O25 W13 O20 155.2(4) . . ?
O25 W13 O26 83.0(3) . . ?
O25 W13 O29 85.3(4) . . ?
O29 W13 O26 82.7(3) . . ?
O4 W14 O5 85.7(4) . . ?
O4 W14 O10 73.3(3) . . ?
O5 W14 O10 73.1(3) . . ?
O6 W14 O4 99.2(4) . . ?
O6 W14 O5 100.6(4) . . ?
O6 W14 O9 102.2(4) . . ?
O6 W14 O10 170.3(4) . . ?
O6 W14 O12 102.8(4) . . ?
O9 W14 O4 89.4(4) . . ?
O9 W14 O5 157.1(4) . . ?
O9 W14 O10 84.1(3) . . ?
O9 W14 O12 89.3(4) . . ?
O12 W14 O4 157.8(4) . . ?
O12 W14 O5 86.9(4) . . ?
O12 W14 O10 84.5(3) . . ?
O1 W15 O3 101.3(4) . . ?
O1 W15 O4 99.8(4) . . ?
O1 W15 O7 103.7(4) . . ?
O1 W15 O8 102.3(4) . . ?
O1 W15 O10 170.4(4) . . ?
O3 W15 O10 71.5(3) . . ?
O4 W15 O3 84.8(4) . . ?
O4 W15 O8 157.4(4) . . ?
O4 W15 O10 73.5(3) . . ?
O7 W15 O3 154.9(4) . . ?
O7 W15 O4 90.7(4) . . ?
O7 W15 O8 88.5(4) . . ?
O7 W15 O10 83.5(3) . . ?
O8 W15 O3 86.5(4) . . ?
O8 W15 O10 83.9(3) . . ?
O2 W16 O3 98.5(4) . . ?
O2 W16 O5 99.9(4) . . ?
O2 W16 O10 169.7(4) . . ?
O2 W16 O11 100.6(4) . . ?
O2 W16 O13 103.4(4) . . ?
O3 W16 O10 72.6(3) . . ?
O5 W16 O3 85.9(4) . . ?
O5 W16 O10 74.6(3) . . ?
O5 W16 O11 159.0(4) . . ?
O11 W16 O3 86.8(4) . . ?
O11 W16 O10 84.4(3) . . ?
O13 W16 O3 158.0(4) . . ?
O13 W16 O5 92.4(4) . . ?
O13 W16 O10 85.8(3) . . ?
O13 W16 O11 87.0(4) . . ?
O50 Co2 O51 90.3(3) . . ?
O50 Co2 O51 175.9(4) . 3_566 ?
O50 Co2 O52 100.0(3) . . ?
O50 Co2 O53 91.0(4) . 3_566 ?
O50 Co2 O54 89.9(3) . 3_566 ?
O51 Co2 O51 85.6(3) 3_566 . ?
O52 Co2 O51 79.6(3) . 3_566 ?
O52 Co2 O51 90.5(3) . . ?
O52 Co2 O54 164.9(3) . 3_566 ?
O53 Co2 O51 93.1(3) 3_566 3_566 ?
O53 Co2 O51 178.4(3) 3_566 . ?
O53 Co2 O52 90.3(3) 3_566 . ?
O53 Co2 O54 101.0(3) 3_566 3_566 ?
O54 Co2 O51 89.7(3) 3_566 3_566 ?
O54 Co2 O51 78.0(3) 3_566 . ?
O47 P1 O48 111.0(5) . . ?
O47 P1 O49 110.8(5) . . ?
O47 P1 O51 107.7(5) . . ?
O48 P1 O49 111.7(5) . . ?
O48 P1 O51 108.1(5) . . ?
O49 P1 O51 107.2(5) . . ?
O26 P2 O10 105.9(5) . . ?
O26 P2 O28 111.7(5) . . ?
O27 P2 O10 106.9(5) . . ?
O27 P2 O26 113.2(5) . . ?
O27 P2 O28 111.2(5) . . ?
O28 P2 O10 107.4(5) . . ?
W16 O3 W15 123.0(5) . . ?
W15 O4 W14 122.6(4) . . ?
W16 O5 W14 121.2(5) . . ?
W15 O7 W12 151.5(5) . . ?
W13 O8 W15 146.9(5) . . ?
W14 O9 W11 149.7(5) . . ?
W14 O10 W15 90.4(3) . . ?
W16 O10 W14 91.1(3) . . ?
W16 O10 W15 92.8(3) . . ?
P2 O10 W14 124.3(5) . . ?
P2 O10 W15 124.5(5) . . ?
P2 O10 W16 123.9(5) . . ?
W8 O11 W16 147.2(5) . . ?
W14 O12 W10 149.0(5) . . ?
W16 O13 W9 152.7(5) . . ?
W13 O20 W8 124.2(5) . . ?
W8 O21 W9 152.3(5) . . ?
W10 O22 W9 122.8(5) . . ?
W11 O23 W10 154.9(5) . . ?
W12 O24 W11 121.5(4) . . ?
W13 O25 W12 155.4(5) . . ?
W8 O26 W13 90.5(3) . . ?
P2 O26 W8 128.9(5) . . ?
P2 O26 W13 128.2(5) . . ?
W9 O27 W10 89.9(3) . . ?
P2 O27 W9 128.9(5) . . ?
P2 O27 W10 129.5(5) . . ?
W12 O28 W11 89.8(3) . . ?
P2 O28 W11 127.8(5) . . ?
P2 O28 W12 130.4(5) . . ?
W5 O29 W13 164.4(6) . . ?
W6 O30 W8 164.4(5) . . ?
W12 O31 W4 165.2(5) . . ?
W11 O32 W3 164.3(5) . . ?
W9 O33 W7 163.7(5) . . ?
W10 O34 W2 164.0(6) . . ?
W2 O36 W7 122.2(4) . . ?
W6 O38 W7 153.5(5) . . ?
W5 O40 W6 121.6(4) . . ?
W5 O42 W4 155.4(5) . . ?
W3 O44 W4 122.2(5) . . ?
W3 O46 W2 153.6(5) . . ?
W5 O47 W6 90.4(3) . . ?
P1 O47 W5 129.5(5) . . ?
P1 O47 W6 128.3(5) . . ?
W2 O48 W7 90.6(3) . . ?
P1 O48 W2 130.7(5) . . ?
P1 O48 W7 128.2(5) . . ?
W3 O49 W4 91.1(3) . . ?
P1 O49 W3 130.0(5) . . ?
P1 O49 W4 127.8(5) . . ?
W4 O50 Co2 135.6(5) . . ?
W1 O51 Co1 0.00(5) 3_566 3_566 ?
Co2 O51 W1 95.9(3) 3_566 3_566 ?
Co2 O51 W1 95.7(3) . 3_566 ?
Co2 O51 Co1 95.7(3) . 3_566 ?
Co2 O51 Co1 95.9(3) 3_566 3_566 ?
Co2 O51 Co2 94.4(3) 3_566 . ?
P1 O51 W1 123.5(5) . 3_566 ?
P1 O51 Co1 123.5(5) . 3_566 ?
P1 O51 Co2 121.2(5) . . ?
P1 O51 Co2 119.6(5) . 3_566 ?
W1 O52 Co2 106.1(4) . . ?
W3 O52 W1 124.4(4) . . ?
W3 O52 Co2 126.8(4) . . ?
W7 O53 Co2 135.4(5) . 3_566 ?
W1 O54 Co2 107.6(4) . 3_566 ?
W2 O54 W1 125.9(4) . . ?
W2 O54 Co2 125.2(5) . 3_566 ?
W1 O55 W6 141.3(5) . 3_566 ?
W1 O56 W5 144.2(5) . 3_566 ?
C12 N5 N6 109.1(17) . . ?
C14 N6 N5 110.3(15) . . ?
N8 N7 C19 110.7(19) . . ?
C17 N8 N7 108.2(19) . . ?
N5 C12 C11 124(2) . . ?
N5 C12 C13 106.8(18) . . ?
C13 C12 C11 129.4(17) . . ?
C12 C13 C18 125.2(17) . . ?
C14 C13 C12 107.1(16) . . ?
C14 C13 C18 127.7(17) . . ?
N6 C14 C13 106.6(17) . . ?
N6 C14 C15 121.7(18) . . ?
C13 C14 C15 131.6(17) . . ?
N8 C17 C16 121(2) . . ?
N8 C17 C18 107(2) . . ?
C18 C17 C16 132.3(18) . . ?
C17 C18 C13 124.2(18) . . ?
C19 C18 C13 127.8(19) . . ?
C19 C18 C17 107.9(18) . . ?
N7 C19 C18 106(2) . . ?
N7 C19 C20 123(2) . . ?
C18 C19 C20 131(2) . . ?
C4 N1 N2 111.7(14) . . ?
N1 N2 C2 109.7(14) . . ?
N4 N3 C7 112.6(14) . . ?
N3 N4 C9 106.5(13) . . ?
N2 C2 C1 124.9(17) . . ?
N2 C2 C3 106.0(15) . . ?
C3 C2 C1 129.2(17) . . ?
C2 C3 C8 128.6(15) . . ?
C4 C3 C2 105.9(14) . . ?
C4 C3 C8 125.3(15) . . ?
N1 C4 C3 106.8(14) . . ?
N1 C4 C5 124.3(16) . . ?
C3 C4 C5 128.9(15) . . ?
N3 C7 C6 123.0(16) . . ?
N3 C7 C8 105.7(15) . . ?
C8 C7 C6 131.3(17) . . ?
C7 C8 C3 125.6(16) . . ?
C9 C8 C3 128.1(16) . . ?
C9 C8 C7 106.4(15) . . ?
N4 C9 C8 108.9(15) . . ?
N4 C9 C10 117.6(17) . . ?
C8 C9 C10 133.5(17) . . ?
N10 N9 C22 107.8(14) . . ?
N9 N10 C24 112.1(14) . . ?
N12 N11 C27 111.8(14) . . ?
N11 N12 C29 109.2(13) . . ?
N9 C22 C21 119.6(17) . . ?
N9 C22 C23 108.6(16) . . ?
C23 C22 C21 131.7(15) . . ?
C22 C23 C24 107.4(14) . . ?
C22 C23 C28 127.5(16) . . ?
C24 C23 C28 124.8(16) . . ?
N10 C24 C23 104.1(16) . . ?
N10 C24 C25 124.3(17) . . ?
C23 C24 C25 131.5(16) . . ?
N11 C27 C26 123.4(16) . . ?
N11 C27 C28 104.8(15) . . ?
C28 C27 C26 131.8(16) . . ?
C27 C28 C23 126.2(14) . . ?
C29 C28 C23 125.7(14) . . ?
C29 C28 C27 107.8(14) . . ?
N12 C29 C28 106.4(14) . . ?
N12 C29 C30 121.0(14) . . ?
C28 C29 C30 132.5(14) . . ?

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

# start Validation Reply Form
_vrf_PLAT306_p                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O1W Check 
RESPONSE: In this case, we have tried to theoretically add the H-atoms for water molecules in the crystal structure, but this is unsuccessful. Due to the some disordered nature of water solvents in the void, it is impossible to find the reasonable H-bonding directions and H-bonding donors around the cluster for the H atoms on water, which will bring some of B alerts in the checkcif relating to the missed H-bonding donor or acceptor. Moreover, X-ray diffraction could not reach such high resolutions to identify H atoms from the E maps. Anyway, this issue will not influence us to recognize the main body of cluster as well as their properties in this work.
;
_vrf_PLAT342_p                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02852 Ang.  
RESPONSE: Moderate crystal quality in context with some disordered solvents, 
hence only small amount of reflections have I>2sigma(I) 
;
_vrf_PLAT430_p                   
;
PROBLEM: Short Inter D...A Contact  O6WA   ..  O6W     ..       2.79 Ang.  
RESPONSE: O6WA and O6W are a pair of disordered water molecule.
;
# end Validation Reply Form
