#------------------------------------------------------------------------------
#$Date: 2021-02-05 00:59:40 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261610 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/20/7242013.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_7242013
loop_
_publ_author_name
'Min, Xue'
'Tian, Hong-rui'
'Li, Ming'
'Tian, Di'
_publ_section_title
;
 Fabrication of new structures from a 3D cobalt phosphonate network:
 structural transformation and proton conductivity investigation
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              876
_journal_page_last               883
_journal_paper_doi               10.1039/D0CE01508C
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C34 H29.5 Co2 N2 O13 P4 Si, O'
_chemical_formula_sum            'C34 H29.5 Co2 N2 O14 P4 Si'
_chemical_formula_weight         959.92
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2020-10-06
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2020-10-06 deposited with the CCDC.	2020-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.4900(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.3454(10)
_cell_length_b                   14.9757(6)
_cell_length_c                   21.3503(8)
_cell_measurement_reflns_used    6166
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.9885
_cell_measurement_theta_min      2.7275
_cell_volume                     7770.5(5)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24152
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.071
_diffrn_reflns_theta_min         1.597
_exptl_absorpt_coefficient_mu    1.119
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_description       block
_exptl_crystal_F_000             3900
_refine_diff_density_max         0.647
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         7700
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0401
_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)+(0.0571P)²+14.0342P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
_refine_ls_wR_factor_ref         0.1160
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5988
_reflns_number_total             7700
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce01508c2.cif
_cod_data_source_block           Co318
_cod_depositor_comments
'Adding full bibliography for 7241867--7242014.cif.'
_cod_original_formula_sum        'C34 H29.50 Co2 N2 O14 P4 Si'
_cod_database_code               7242013
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C14(H14),
 C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34)
2.b Tetrahedral OH refined with riding coordinates:
 O1(H1), O4(H4), O11(H11A)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
C1 C 0.54540(12) 0.1283(2) 0.13747(14) 0.0247(6) Uani 1 1 d . . . . .
C2 C 0.56708(14) 0.0516(2) 0.17130(18) 0.0393(8) Uani 1 1 d . . . . .
H2 H 0.543323 0.008395 0.179004 0.047 Uiso 1 1 calc R U . . .
C3 C 0.62347(14) 0.0378(3) 0.19398(19) 0.0452(10) Uani 1 1 d . . . . .
H3 H 0.636817 -0.013911 0.217217 0.054 Uiso 1 1 calc R U . . .
C4 C 0.65989(13) 0.0994(2) 0.18257(15) 0.0311(7) Uani 1 1 d . . . . .
C5 C 0.63944(14) 0.1770(2) 0.14927(18) 0.0378(8) Uani 1 1 d . . . . .
H5 H 0.663362 0.219879 0.141434 0.045 Uiso 1 1 calc R U . . .
C6 C 0.58317(14) 0.1904(2) 0.12771(18) 0.0377(8) Uani 1 1 d . . . . .
H6 H 0.570009 0.243058 0.105753 0.045 Uiso 1 1 calc R U . . .
C7 C 0.44453(12) 0.2389(2) 0.14705(14) 0.0244(6) Uani 1 1 d . . . . .
C8 C 0.46590(14) 0.3247(2) 0.14997(18) 0.0374(8) Uani 1 1 d . . . . .
H8 H 0.493594 0.335864 0.130276 0.045 Uiso 1 1 calc R U . . .
C9 C 0.44777(14) 0.3935(2) 0.18071(17) 0.0366(8) Uani 1 1 d . . . . .
H9 H 0.463355 0.449925 0.181616 0.044 Uiso 1 1 calc R U . . .
C10 C 0.40650(12) 0.3800(2) 0.21044(14) 0.0256(7) Uani 1 1 d . . . . .
C11 C 0.38496(14) 0.2951(2) 0.20948(17) 0.0344(8) Uani 1 1 d . . . . .
H11 H 0.357686 0.284296 0.229906 0.041 Uiso 1 1 calc R U . . .
C12 C 0.40369(14) 0.2255(2) 0.17825(17) 0.0344(8) Uani 1 1 d . . . . .
H12 H 0.388672 0.168864 0.178155 0.041 Uiso 1 1 calc R U . . .
C13 C 0.46224(12) 0.1934(2) 0.01535(14) 0.0248(6) Uani 1 1 d . . . . .
C14 C 0.42095(13) 0.2514(2) -0.01786(15) 0.0330(8) Uani 1 1 d . . . . .
H14 H 0.398145 0.277703 0.004153 0.040 Uiso 1 1 calc R U . . .
C15 C 0.41325(14) 0.2706(2) -0.08373(16) 0.0344(8) Uani 1 1 d . . . . .
H15 H 0.385382 0.309485 -0.105234 0.041 Uiso 1 1 calc R U . . .
C16 C 0.44677(13) 0.2322(2) -0.11729(15) 0.0277(7) Uani 1 1 d . . . . .
C17 C 0.48826(15) 0.1761(3) -0.08433(16) 0.0391(9) Uani 1 1 d . . . . .
H17 H 0.511555 0.150889 -0.106163 0.047 Uiso 1 1 calc R U . . .
C18 C 0.49578(14) 0.1568(2) -0.01926(16) 0.0366(8) Uani 1 1 d . . . . .
H18 H 0.524011 0.118372 0.001959 0.044 Uiso 1 1 calc R U . . .
C19 C 0.42828(12) 0.0470(2) 0.09130(15) 0.0247(6) Uani 1 1 d . . . . .
C20 C 0.40199(14) 0.0130(2) 0.02897(16) 0.0331(7) Uani 1 1 d . . . . .
H20 H 0.405295 0.043764 -0.007554 0.040 Uiso 1 1 calc R U . . .
C21 C 0.37159(14) -0.0642(2) 0.02015(16) 0.0341(8) Uani 1 1 d . . . . .
H21 H 0.354871 -0.084824 -0.021898 0.041 Uiso 1 1 calc R U . . .
C22 C 0.36565(12) -0.1114(2) 0.07321(15) 0.0274(7) Uani 1 1 d . . . . .
C23 C 0.39078(13) -0.0785(2) 0.13608(15) 0.0310(7) Uani 1 1 d . . . . .
H23 H 0.386667 -0.108878 0.172378 0.037 Uiso 1 1 calc R U . . .
C24 C 0.42153(13) -0.0013(2) 0.14434(16) 0.0306(7) Uani 1 1 d . . . . .
H24 H 0.438255 0.019145 0.186428 0.037 Uiso 1 1 calc R U . . .
C25 C 0.22735(16) 0.5973(3) 0.4098(2) 0.0554(11) Uani 1 1 d . . . . .
H25 H 0.205999 0.607923 0.367249 0.066 Uiso 1 1 calc R U . . .
C26 C 0.21069(19) 0.6320(4) 0.4596(2) 0.0683(14) Uani 1 1 d . . . . .
H26 H 0.179464 0.667803 0.451276 0.082 Uiso 1 1 calc R U . . .
C27 C 0.2407(2) 0.6136(4) 0.5226(2) 0.0808(17) Uani 1 1 d . . . . .
H27 H 0.229230 0.634692 0.557559 0.097 Uiso 1 1 calc R U . . .
C28 C 0.2877(2) 0.5637(4) 0.5335(2) 0.0694(15) Uani 1 1 d . . . . .
H28 H 0.308707 0.550973 0.575926 0.083 Uiso 1 1 calc R U . . .
C29 C 0.30363(15) 0.5325(3) 0.48087(16) 0.0402(9) Uani 1 1 d . . . . .
C30 C 0.35496(15) 0.4823(2) 0.48691(16) 0.0360(8) Uani 1 1 d . . . . .
C31 C 0.39020(18) 0.4568(3) 0.54629(18) 0.0500(10) Uani 1 1 d . . . . .
H31 H 0.381505 0.469117 0.584888 0.060 Uiso 1 1 calc R U . . .
C32 C 0.43818(19) 0.4131(3) 0.54782(19) 0.0602(12) Uani 1 1 d . . . . .
H32 H 0.462152 0.394741 0.587307 0.072 Uiso 1 1 calc R U . . .
C33 C 0.45009(18) 0.3971(3) 0.4902(2) 0.0570(12) Uani 1 1 d . . . . .
H33 H 0.482903 0.369453 0.490011 0.068 Uiso 1 1 calc R U . . .
C34 C 0.41313(17) 0.4223(3) 0.43296(18) 0.0485(10) Uani 1 1 d . . . . .
H34 H 0.421200 0.409917 0.394001 0.058 Uiso 1 1 calc R U . . .
Co1 Co 0.33819(2) 0.66595(3) 0.18746(2) 0.02882(12) Uani 1 1 d . . . . .
Co2 Co 0.30187(2) 0.48827(3) 0.34481(2) 0.03131(13) Uani 1 1 d . . . . .
N1 N 0.27347(12) 0.5480(2) 0.41910(14) 0.0402(7) Uani 1 1 d . . . . .
N2 N 0.36590(12) 0.4640(2) 0.43022(13) 0.0353(7) Uani 1 1 d . . . . .
O1 O 0.73864(11) -0.01207(19) 0.17374(14) 0.0518(7) Uani 1 1 d . . . . .
H1 H 0.732253 -0.053449 0.195669 0.078 Uiso 1 1 calc R U . . .
O2 O 0.75322(11) 0.0709(2) 0.28032(12) 0.0575(8) Uani 1 1 d . . . . .
O3 O 0.76001(10) 0.1515(2) 0.18035(14) 0.0522(7) Uani 1 1 d . . . . .
O4 O 0.43448(10) 0.50676(16) 0.30316(11) 0.0392(6) Uani 1 1 d . . . . .
H4 H 0.442714 0.557336 0.294584 0.059 Uiso 1 1 calc R U . . .
O5 O 0.34036(9) 0.44234(16) 0.27869(11) 0.0366(6) Uani 1 1 d . . . . .
O6 O 0.36590(9) 0.54364(15) 0.19537(10) 0.0330(5) Uani 1 1 d . . . . .
O7 O 0.47060(10) 0.33387(15) -0.21086(11) 0.0351(5) Uani 1 1 d . . . . .
O8 O 0.37541(9) 0.26706(18) -0.23254(11) 0.0425(6) Uani 1 1 d . . . . .
O9 O 0.45797(10) 0.16914(16) -0.23036(11) 0.0379(6) Uani 1 1 d . . . . .
O10 O 0.26823(10) -0.18714(18) 0.06758(12) 0.0440(6) Uani 1 1 d . . . . .
O11 O 0.32400(10) -0.24687(17) -0.00466(11) 0.0390(6) Uani 1 1 d . . . . .
H11A H 0.293425 -0.267290 -0.022614 0.058 Uiso 1 1 calc R U . . .
O12 O 0.35532(11) -0.27608(17) 0.11586(12) 0.0440(6) Uani 1 1 d . . . . .
O13 O 0.25652(17) 0.3787(3) 0.33400(19) 0.0697(11) Uani 1 1 d . . . . .
O1W O 0.22492(18) 0.2972(3) 0.2069(2) 0.1049(14) Uani 1 1 d . . . . .
P1 P 0.73267(3) 0.07905(7) 0.20759(4) 0.0358(2) Uani 1 1 d . . . . .
P2 P 0.38321(3) 0.47337(6) 0.24757(4) 0.02656(19) Uani 1 1 d . . . . .
P3 P 0.43641(3) 0.25079(6) -0.20328(4) 0.0291(2) Uani 1 1 d . . . . .
P4 P 0.32531(4) -0.21143(6) 0.06410(4) 0.0305(2) Uani 1 1 d . . . . .
Si1 Si 0.47000(3) 0.15104(5) 0.10026(4) 0.02178(18) Uani 1 1 d . . . . .
H13A H 0.2484(17) 0.359(3) 0.364(2) 0.048(13) Uiso 1 1 d . . . . .
H13B H 0.255(2) 0.345(4) 0.308(3) 0.08(2) Uiso 1 1 d . . . . .
H7 H 0.500000 0.325(7) -0.250000 0.16(4) Uiso 1 2 d S . 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'
Si Si 0.0817 0.0704 '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
_geom_angle_publ_flag
C2 C1 C6 116.4(3) . . ?
C2 C1 Si1 125.1(2) . . ?
C6 C1 Si1 118.4(2) . . ?
C1 C2 H2 119.3 . . ?
C1 C2 C3 121.5(3) . . ?
C3 C2 H2 119.3 . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.0(3) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 C5 118.8(3) . . ?
C3 C4 P1 121.2(3) . . ?
C5 C4 P1 119.9(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.5(3) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 H6 118.6 . . ?
C5 C6 C1 122.8(3) . . ?
C5 C6 H6 118.6 . . ?
C8 C7 C12 116.4(3) . . ?
C8 C7 Si1 119.0(2) . . ?
C12 C7 Si1 124.6(2) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 C7 122.6(3) . . ?
C9 C8 H8 118.7 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.7(3) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 P2 118.5(2) . . ?
C11 C10 C9 118.3(3) . . ?
C11 C10 P2 123.2(2) . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.6(3) . . ?
C12 C11 H11 119.7 . . ?
C7 C12 H12 119.3 . . ?
C11 C12 C7 121.5(3) . . ?
C11 C12 H12 119.3 . . ?
C14 C13 Si1 124.1(2) . . ?
C18 C13 C14 117.5(3) . . ?
C18 C13 Si1 117.9(2) . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.9(3) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 P3 122.1(2) . . ?
C17 C16 C15 118.8(3) . . ?
C17 C16 P3 119.1(2) . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.8(3) . . ?
C18 C17 H17 119.6 . . ?
C13 C18 H18 119.2 . . ?
C17 C18 C13 121.6(3) . . ?
C17 C18 H18 119.2 . . ?
C20 C19 Si1 120.2(2) . . ?
C24 C19 C20 116.6(3) . . ?
C24 C19 Si1 123.2(2) . . ?
C19 C20 H20 118.9 . . ?
C21 C20 C19 122.2(3) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.5(3) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 C23 118.7(3) . . ?
C21 C22 P4 122.1(2) . . ?
C23 C22 P4 119.2(2) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 H24 119.1 . . ?
C23 C24 C19 121.8(3) . . ?
C23 C24 H24 119.1 . . ?
C26 C25 H25 118.5 . . ?
N1 C25 H25 118.5 . . ?
N1 C25 C26 123.0(4) . . ?
C25 C26 H26 120.6 . . ?
C25 C26 C27 118.8(4) . . ?
C27 C26 H26 120.6 . . ?
C26 C27 H27 120.3 . . ?
C28 C27 C26 119.4(4) . . ?
C28 C27 H27 120.3 . . ?
C27 C28 H28 120.4 . . ?
C27 C28 C29 119.2(4) . . ?
C29 C28 H28 120.4 . . ?
C28 C29 C30 123.7(3) . . ?
N1 C29 C28 121.7(4) . . ?
N1 C29 C30 114.5(3) . . ?
C31 C30 C29 123.0(3) . . ?
N2 C30 C29 115.3(3) . . ?
N2 C30 C31 121.7(3) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 C30 119.4(4) . . ?
C32 C31 H31 120.3 . . ?
C31 C32 H32 120.6 . . ?
C33 C32 C31 118.8(4) . . ?
C33 C32 H32 120.6 . . ?
C32 C33 H33 120.5 . . ?
C34 C33 C32 119.1(4) . . ?
C34 C33 H33 120.5 . . ?
C33 C34 H34 118.4 . . ?
N2 C34 C33 123.2(4) . . ?
N2 C34 H34 118.4 . . ?
O3 Co1 O8 110.36(12) 3_455 6_566 ?
O6 Co1 O3 103.59(11) . 3_455 ?
O6 Co1 O8 109.28(10) . 6_566 ?
O12 Co1 O3 116.29(11) 1_565 3_455 ?
O12 Co1 O6 109.73(10) 1_565 . ?
O12 Co1 O8 107.44(11) 1_565 6_566 ?
N2 Co2 N1 76.46(11) . . ?
O2 Co2 N1 88.86(11) 3_455 . ?
O2 Co2 N2 151.65(13) 3_455 . ?
O2 Co2 O5 93.13(10) 3_455 . ?
O5 Co2 N1 170.93(11) . . ?
O5 Co2 N2 97.96(10) . . ?
O13 Co2 N1 97.34(15) . . ?
O13 Co2 N2 103.75(15) . . ?
O13 Co2 O2 102.07(16) . 3_455 ?
O13 Co2 O5 90.90(14) . . ?
C25 N1 Co2 125.9(3) . . ?
C29 N1 C25 117.8(3) . . ?
C29 N1 Co2 116.3(2) . . ?
C30 N2 Co2 116.1(2) . . ?
C34 N2 C30 117.8(3) . . ?
C34 N2 Co2 125.5(2) . . ?
P1 O1 H1 109.5 . . ?
P1 O2 Co2 136.99(19) . 3_545 ?
P1 O3 Co1 128.49(16) . 3_545 ?
P2 O4 H4 109.5 . . ?
P2 O5 Co2 138.40(15) . . ?
P2 O6 Co1 137.94(14) . . ?
P3 O7 H7 116(4) . . ?
P3 O8 Co1 128.32(14) . 6_565 ?
P4 O11 H11A 109.5 . . ?
P4 O12 Co1 134.26(17) . 1_545 ?
Co2 O13 H13A 120(3) . . ?
Co2 O13 H13B 123(4) . . ?
H13A O13 H13B 113(5) . . ?
O1 P1 C4 103.64(16) . . ?
O2 P1 C4 110.38(15) . . ?
O2 P1 O1 110.86(17) . . ?
O3 P1 C4 108.18(15) . . ?
O3 P1 O1 109.67(17) . . ?
O3 P1 O2 113.61(18) . . ?
O4 P2 C10 106.09(14) . . ?
O5 P2 C10 109.04(14) . . ?
O5 P2 O4 108.15(14) . . ?
O5 P2 O6 116.72(14) . . ?
O6 P2 C10 106.37(14) . . ?
O6 P2 O4 109.97(14) . . ?
O7 P3 C16 107.86(14) . . ?
O8 P3 C16 106.38(14) . . ?
O8 P3 O7 111.29(14) . . ?
O8 P3 O9 114.08(15) . . ?
O9 P3 C16 107.42(14) . . ?
O9 P3 O7 109.51(13) . . ?
O10 P4 C22 108.51(15) . . ?
O10 P4 O11 111.36(14) . . ?
O11 P4 C22 104.29(14) . . ?
O12 P4 C22 107.72(15) . . ?
O12 P4 O10 114.19(15) . . ?
O12 P4 O11 110.22(15) . . ?
C7 Si1 C1 111.36(13) . . ?
C7 Si1 C13 108.64(13) . . ?
C13 Si1 C1 106.52(13) . . ?
C19 Si1 C1 111.79(14) . . ?
C19 Si1 C7 111.78(13) . . ?
C19 Si1 C13 106.43(14) . . ?
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
C1 C2 1.385(5) . ?
C1 C6 1.391(5) . ?
C1 Si1 1.881(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.388(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.375(5) . ?
C4 C5 1.384(5) . ?
C4 P1 1.795(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.389(4) . ?
C7 C12 1.395(4) . ?
C7 Si1 1.874(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.369(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.384(4) . ?
C10 C11 1.383(5) . ?
C10 P2 1.788(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.391(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.389(4) . ?
C13 C18 1.388(4) . ?
C13 Si1 1.878(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.394(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.383(4) . ?
C16 C17 1.373(5) . ?
C16 P3 1.801(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.378(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.404(4) . ?
C19 C24 1.394(4) . ?
C19 Si1 1.863(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.372(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.380(4) . ?
C22 C23 1.402(4) . ?
C22 P4 1.792(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.377(4) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C25 C26 1.354(6) . ?
C25 N1 1.349(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.372(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.370(7) . ?
C28 H28 0.9300 . ?
C28 C29 1.379(5) . ?
C29 C30 1.476(5) . ?
C29 N1 1.343(4) . ?
C30 C31 1.381(5) . ?
C30 N2 1.344(4) . ?
C31 H31 0.9300 . ?
C31 C32 1.373(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.369(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.365(5) . ?
C34 H34 0.9300 . ?
C34 N2 1.336(5) . ?
Co1 O3 1.956(2) 3_455 ?
Co1 O6 1.952(2) . ?
Co1 O8 1.975(2) 6_566 ?
Co1 O12 1.912(2) 1_565 ?
Co2 N1 2.117(3) . ?
Co2 N2 2.100(3) . ?
Co2 O2 1.996(3) 3_455 ?
Co2 O5 2.049(2) . ?
Co2 O13 1.979(4) . ?
O1 H1 0.8200 . ?
O1 P1 1.571(3) . ?
O2 P1 1.496(3) . ?
O3 P1 1.492(3) . ?
O4 H4 0.8200 . ?
O4 P2 1.572(2) . ?
O5 P2 1.499(2) . ?
O6 P2 1.505(2) . ?
O7 P3 1.551(2) . ?
O7 H7 1.274(11) . ?
O8 P3 1.514(2) . ?
O9 P3 1.519(2) . ?
O10 P4 1.514(3) . ?
O11 H11A 0.8200 . ?
O11 P4 1.552(2) . ?
O12 P4 1.503(3) . ?
O13 H13A 0.78(5) . ?
O13 H13B 0.74(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 -1.1(6) . . . . ?
C2 C1 C6 C5 1.0(5) . . . . ?
C2 C1 Si1 C7 108.4(3) . . . . ?
C2 C1 Si1 C13 -133.3(3) . . . . ?
C2 C1 Si1 C19 -17.4(3) . . . . ?
C2 C3 C4 C5 1.5(6) . . . . ?
C2 C3 C4 P1 -176.3(3) . . . . ?
C3 C4 C5 C6 -0.7(5) . . . . ?
C3 C4 P1 O1 55.9(3) . . . . ?
C3 C4 P1 O2 -62.9(4) . . . . ?
C3 C4 P1 O3 172.2(3) . . . . ?
C4 C5 C6 C1 -0.6(6) . . . . ?
C5 C4 P1 O1 -122.0(3) . . . . ?
C5 C4 P1 O2 119.3(3) . . . . ?
C5 C4 P1 O3 -5.6(3) . . . . ?
C6 C1 C2 C3 -0.1(5) . . . . ?
C6 C1 Si1 C7 -75.4(3) . . . . ?
C6 C1 Si1 C13 42.9(3) . . . . ?
C6 C1 Si1 C19 158.8(3) . . . . ?
C7 C8 C9 C10 -0.2(6) . . . . ?
C8 C7 C12 C11 1.1(5) . . . . ?
C8 C7 Si1 C1 63.4(3) . . . . ?
C8 C7 Si1 C13 -53.6(3) . . . . ?
C8 C7 Si1 C19 -170.8(3) . . . . ?
C8 C9 C10 C11 1.4(5) . . . . ?
C8 C9 C10 P2 -178.1(3) . . . . ?
C9 C10 C11 C12 -1.2(5) . . . . ?
C9 C10 P2 O4 -61.5(3) . . . . ?
C9 C10 P2 O5 -177.8(3) . . . . ?
C9 C10 P2 O6 55.6(3) . . . . ?
C10 C11 C12 C7 0.0(5) . . . . ?
C11 C10 P2 O4 119.1(3) . . . . ?
C11 C10 P2 O5 2.8(3) . . . . ?
C11 C10 P2 O6 -123.9(3) . . . . ?
C12 C7 C8 C9 -1.0(5) . . . . ?
C12 C7 Si1 C1 -118.7(3) . . . . ?
C12 C7 Si1 C13 124.3(3) . . . . ?
C12 C7 Si1 C19 7.2(3) . . . . ?
C13 C14 C15 C16 -0.1(5) . . . . ?
C14 C13 C18 C17 -0.7(5) . . . . ?
C14 C13 Si1 C1 -151.4(3) . . . . ?
C14 C13 Si1 C7 -31.4(3) . . . . ?
C14 C13 Si1 C19 89.2(3) . . . . ?
C14 C15 C16 C17 -1.1(5) . . . . ?
C14 C15 C16 P3 177.0(3) . . . . ?
C15 C16 C17 C18 1.3(6) . . . . ?
C15 C16 P3 O7 90.1(3) . . . . ?
C15 C16 P3 O8 -29.4(3) . . . . ?
C15 C16 P3 O9 -151.9(3) . . . . ?
C16 C17 C18 C13 -0.4(6) . . . . ?
C17 C16 P3 O7 -91.8(3) . . . . ?
C17 C16 P3 O8 148.7(3) . . . . ?
C17 C16 P3 O9 26.2(3) . . . . ?
C18 C13 C14 C15 1.0(5) . . . . ?
C18 C13 Si1 C1 36.3(3) . . . . ?
C18 C13 Si1 C7 156.4(3) . . . . ?
C18 C13 Si1 C19 -83.1(3) . . . . ?
C19 C20 C21 C22 0.2(5) . . . . ?
C20 C19 C24 C23 0.1(5) . . . . ?
C20 C19 Si1 C1 -111.9(3) . . . . ?
C20 C19 Si1 C7 122.4(3) . . . . ?
C20 C19 Si1 C13 4.0(3) . . . . ?
C20 C21 C22 C23 0.6(5) . . . . ?
C20 C21 C22 P4 178.8(3) . . . . ?
C21 C22 C23 C24 -1.1(5) . . . . ?
C21 C22 P4 O10 -95.5(3) . . . . ?
C21 C22 P4 O11 23.3(3) . . . . ?
C21 C22 P4 O12 140.4(3) . . . . ?
C22 C23 C24 C19 0.7(5) . . . . ?
C23 C22 P4 O10 82.7(3) . . . . ?
C23 C22 P4 O11 -158.5(3) . . . . ?
C23 C22 P4 O12 -41.4(3) . . . . ?
C24 C19 C20 C21 -0.6(5) . . . . ?
C24 C19 Si1 C1 67.6(3) . . . . ?
C24 C19 Si1 C7 -58.0(3) . . . . ?
C24 C19 Si1 C13 -176.5(3) . . . . ?
C25 C26 C27 C28 2.6(9) . . . . ?
C26 C25 N1 C29 0.6(7) . . . . ?
C26 C25 N1 Co2 178.4(4) . . . . ?
C26 C27 C28 C29 -0.5(9) . . . . ?
C27 C28 C29 C30 176.7(5) . . . . ?
C27 C28 C29 N1 -1.6(8) . . . . ?
C28 C29 C30 C31 4.3(7) . . . . ?
C28 C29 C30 N2 -174.5(4) . . . . ?
C28 C29 N1 C25 1.6(6) . . . . ?
C28 C29 N1 Co2 -176.4(4) . . . . ?
C29 C30 C31 C32 -177.6(4) . . . . ?
C29 C30 N2 C34 176.9(4) . . . . ?
C29 C30 N2 Co2 -11.1(4) . . . . ?
C30 C29 N1 C25 -176.8(4) . . . . ?
C30 C29 N1 Co2 5.1(4) . . . . ?
C30 C31 C32 C33 0.9(7) . . . . ?
C31 C30 N2 C34 -2.0(6) . . . . ?
C31 C30 N2 Co2 170.0(3) . . . . ?
C31 C32 C33 C34 -2.2(7) . . . . ?
C32 C33 C34 N2 1.5(7) . . . . ?
C33 C34 N2 C30 0.6(6) . . . . ?
C33 C34 N2 Co2 -170.5(3) . . . . ?
Co1 O3 P1 C4 -177.9(2) 3_545 . . . ?
Co1 O3 P1 O1 -65.5(3) 3_545 . . . ?
Co1 O3 P1 O2 59.2(3) 3_545 . . . ?
Co1 O6 P2 C10 -177.4(2) . . . . ?
Co1 O6 P2 O4 -62.9(3) . . . . ?
Co1 O6 P2 O5 60.7(3) . . . . ?
Co1 O8 P3 C16 154.81(19) 6_565 . . . ?
Co1 O8 P3 O7 37.6(2) 6_565 . . . ?
Co1 O8 P3 O9 -86.9(2) 6_565 . . . ?
Co1 O12 P4 C22 119.1(2) 1_545 . . . ?
Co1 O12 P4 O10 -1.5(3) 1_545 . . . ?
Co1 O12 P4 O11 -127.7(2) 1_545 . . . ?
Co2 O2 P1 C4 133.2(3) 3_545 . . . ?
Co2 O2 P1 O1 18.9(3) 3_545 . . . ?
Co2 O2 P1 O3 -105.1(3) 3_545 . . . ?
Co2 O5 P2 C10 164.8(2) . . . . ?
Co2 O5 P2 O4 49.9(3) . . . . ?
Co2 O5 P2 O6 -74.7(3) . . . . ?
N1 C25 C26 C27 -2.7(8) . . . . ?
N1 C29 C30 C31 -177.3(4) . . . . ?
N1 C29 C30 N2 3.9(5) . . . . ?
N2 C30 C31 C32 1.2(6) . . . . ?
P1 C4 C5 C6 177.2(3) . . . . ?
P2 C10 C11 C12 178.2(3) . . . . ?
P3 C16 C17 C18 -176.8(3) . . . . ?
P4 C22 C23 C24 -179.4(3) . . . . ?
Si1 C1 C2 C3 176.2(3) . . . . ?
Si1 C1 C6 C5 -175.6(3) . . . . ?
Si1 C7 C8 C9 177.1(3) . . . . ?
Si1 C7 C12 C11 -176.9(3) . . . . ?
Si1 C13 C14 C15 -171.3(3) . . . . ?
Si1 C13 C18 C17 172.0(3) . . . . ?
Si1 C19 C20 C21 179.0(3) . . . . ?
Si1 C19 C24 C23 -179.4(3) . . . . ?
