#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:04:49 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/90/7039007.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7039007
loop_
_publ_author_name
'Guo, Ling-Yu'
'Jagodič, Marko'
'Zeng, Su-Yuan'
'Wang, Zhi'
'Shi, Zhi-Qiang'
'Wang, Xing-Po'
'Tung, Chen-Ho'
'Sun, Di'
_publ_section_title
;
 pH-Controlled assembly of two novel Dawson-sandwiched clusters involving
 the in situ reorganization of trivacant α-[P2W15O56](12-) into divacant
 α-[P2W16O57](8.).
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8404
_journal_page_last               8411
_journal_paper_doi               10.1039/c6dt00793g
_journal_volume                  45
_journal_year                    2016
_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
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-04-05
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-04-05 deposited with the CCDC.
2016-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.4003(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   24.592(3)
_cell_length_b                   14.2596(17)
_cell_length_c                   24.846(3)
_cell_measurement_reflns_used    5428
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.279
_cell_measurement_theta_min      2.454
_cell_volume                     8112.1(17)
_computing_cell_refinement       'APEX2 (Bruker,2005)'
_computing_data_collection       '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)'
_diffrn_ambient_temperature      298.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Apex II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_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
_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_crystal_colour            purple
_exptl_crystal_density_diffrn    3.754
_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
_refine_diff_density_max         2.514
_refine_diff_density_min         -2.903
_refine_diff_density_rms         0.324
_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_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0411
_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
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10803
_reflns_number_total             15970
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt00793g2.cif
_cod_data_source_block           p2
_cod_depositor_comments
'Adding full bibliography for 7039006--7039007.cif.'
_cod_original_cell_volume        8112.0(17)
_cod_database_code               7039007
_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.
;
_shelx_estimated_absorpt_t_max   0.401
_shelx_estimated_absorpt_t_min   0.214
_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)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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'
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
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
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'
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
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) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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) .
