#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:38:57 +0100 (dom 17 de nov de 2019) $
#$Revision: 230554 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/73/7057305.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_7057305
loop_
_publ_author_name
'Doroshenko, Iaroslav'
'Babiak, Michal'
'Buchholz, Axel'
'Görls, Helmar'
'Plass, Winfried'
'Pinkas, Jiri'
_publ_section_title
;
 New molecular heptanuclear cobalt phosphonates: synthesis, structures and
 magnetic properties
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9568
_journal_paper_doi               10.1039/C8NJ00902C
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C72 H114 Co7 N6 Na4 O36 P6'
_chemical_formula_weight         2329.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-04-13 deposited with the CCDC.
2018-04-19 downloaded from the CCDC.
;
_cell_angle_alpha                64.600(3)
_cell_angle_beta                 83.962(2)
_cell_angle_gamma                82.937(2)
_cell_formula_units_Z            1
_cell_length_a                   12.1158(2)
_cell_length_b                   14.6175(4)
_cell_length_c                   15.4567(4)
_cell_measurement_reflns_used    19768
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.7680
_cell_measurement_theta_min      2.1790
_cell_volume                     2449.84(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
Rigaku CrystalClear-SM Expert 2.1 b32 (Rigaku, 2014)
MSCServDetCCD = {5.7.3.4}
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'AFC11 (Right): Eulerian 3 circle'
_diffrn_measurement_method       'Profile data from ω-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_unetI/netI     0.0225
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24683
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.680
_diffrn_reflns_theta_min         2.173
_diffrn_source                   'Rotating Anode MicroMax-007HF DW 1.2 kW'
_exptl_absorpt_coefficient_mu    1.354
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89451
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_description       block
_exptl_crystal_F_000             1199
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     610
_refine_ls_number_reflns         9262
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0262
_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)+(0.0390P)²+1.9881P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0699
_refine_ls_wR_factor_ref         0.0712
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8742
_reflns_number_total             9262
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8nj00902c2.cif
_cod_data_source_block           Doroshenko_20150807_Co
_cod_depositor_comments
'Adding full bibliography for 7057302--7057305.cif.'
_cod_database_code               7057305
_shelx_shelxl_version_number     2017/1
_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_min   0.854
_shelx_estimated_absorpt_t_max   0.876
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Co1 Co 0.500000 0.500000 0.500000 0.01220(8) Uani 1 2 d S . P
Co2 Co 0.33126(2) 0.64213(2) 0.62734(2) 0.01544(6) Uani 1 1 d . . .
Co3 Co 0.39109(2) 0.75148(2) 0.30637(2) 0.01651(7) Uani 1 1 d . . .
Co4 Co 0.29191(2) 0.42768(2) 0.38345(2) 0.01545(6) Uani 1 1 d . . .
Na1 Na 0.47330(7) 0.76817(7) 0.69010(6) 0.03174(19) Uani 1 1 d . . .
Na2 Na 0.77936(7) 0.38735(6) 0.80062(6) 0.03245(19) Uani 1 1 d . . .
P1_1 P 0.24439(4) 0.59539(4) 0.46983(3) 0.01551(10) Uani 1 1 d . . .
O1_1 O 0.29533(11) 0.71546(11) 0.71757(10) 0.0234(3) Uani 1 1 d . . .
O2_1 O 0.34710(10) 0.57008(9) 0.52848(9) 0.0158(2) Uani 1 1 d . . .
O3_1 O 0.21572(10) 0.51372(11) 0.44286(10) 0.0222(3) Uani 1 1 d . . .
O4_1 O 0.25021(10) 0.69819(10) 0.38210(9) 0.0203(3) Uani 1 1 d . . .
N1_1 N 0.16797(12) 0.67231(12) 0.59414(11) 0.0169(3) Uani 1 1 d . . .
C1_1 C 0.21767(16) 0.79245(15) 0.70193(14) 0.0226(4) Uani 1 1 d . . .
C2_1 C 0.22470(18) 0.86035(17) 0.74377(16) 0.0302(5) Uani 1 1 d . . .
H2_1 H 0.283996 0.848632 0.783899 0.036 Uiso 1 1 calc R U .
C3_1 C 0.1483(2) 0.94303(17) 0.72826(17) 0.0343(5) Uani 1 1 d . . .
H3_1 H 0.156019 0.987223 0.757416 0.041 Uiso 1 1 calc R U .
C4_1 C 0.0600(2) 0.96247(17) 0.67027(18) 0.0361(5) Uani 1 1 d . . .
H4_1 H 0.008366 1.020477 0.658064 0.043 Uiso 1 1 calc R U .
C5_1 C 0.04907(18) 0.89537(17) 0.63090(17) 0.0321(5) Uani 1 1 d . . .
H5_1 H -0.012115 0.907119 0.592637 0.039 Uiso 1 1 calc R U .
C6_1 C 0.12580(16) 0.81013(15) 0.64568(14) 0.0232(4) Uani 1 1 d . . .
C7_1 C 0.10227(16) 0.74461(15) 0.60212(14) 0.0235(4) Uani 1 1 d . . .
H7_1 H 0.031011 0.756464 0.576976 0.028 Uiso 1 1 calc R U .
C8_1 C 0.12889(15) 0.60820(14) 0.55219(13) 0.0186(4) Uani 1 1 d . . .
C9_1 C 0.11550(17) 0.50307(15) 0.63569(14) 0.0242(4) Uani 1 1 d . . .
H9A_1 H 0.055522 0.508960 0.681249 0.036 Uiso 1 1 calc R U .
H9B_1 H 0.185350 0.477456 0.668298 0.036 Uiso 1 1 calc R U .
H9C_1 H 0.097095 0.455849 0.610677 0.036 Uiso 1 1 calc R U .
C10_1 C 0.02109(15) 0.64998(17) 0.49997(15) 0.0249(4) Uani 1 1 d . . .
H10A_1 H -0.040803 0.649986 0.546212 0.037 Uiso 1 1 calc R U .
H10B_1 H 0.006336 0.607152 0.468796 0.037 Uiso 1 1 calc R U .
H10C_1 H 0.028558 0.719599 0.451406 0.037 Uiso 1 1 calc R U .
P1_2 P 0.50419(4) 0.44174(3) 0.72326(3) 0.01442(10) Uani 1 1 d . . .
O1_2 O 0.68269(12) 0.10659(10) 0.75828(10) 0.0258(3) Uani 1 1 d . . .
O2_2 O 0.51829(10) 0.40537(9) 0.64366(8) 0.0150(2) Uani 1 1 d . . .
O3_2 O 0.40560(10) 0.51669(10) 0.72101(9) 0.0186(3) Uani 1 1 d . . .
O4_2 O 0.61366(10) 0.47942(10) 0.73299(9) 0.0179(3) Uani 1 1 d . . .
N1_2 N 0.56909(13) 0.24817(12) 0.82642(11) 0.0201(3) Uani 1 1 d . . .
C1_2 C 0.72233(19) 0.06257(16) 0.84360(16) 0.0299(5) Uani 1 1 d . . .
C2_2 C 0.7977(2) -0.0255(2) 0.8674(2) 0.0472(7) Uani 1 1 d . . .
H2_2 H 0.819795 -0.051182 0.820598 0.057 Uiso 1 1 calc R U .
C3_2 C 0.8398(3) -0.0751(2) 0.9573(2) 0.0638(10) Uani 1 1 d . . .
H3_2 H 0.890165 -0.134058 0.971099 0.077 Uiso 1 1 calc R U .
C4_2 C 0.8098(3) -0.0403(2) 1.0278(2) 0.0658(10) Uani 1 1 d . . .
H4_2 H 0.839024 -0.074837 1.089440 0.079 Uiso 1 1 calc R U .
C5_2 C 0.7371(3) 0.0451(2) 1.00663(19) 0.0518(8) Uani 1 1 d . . .
H5_2 H 0.716123 0.069456 1.054505 0.062 Uiso 1 1 calc R U .
C6_2 C 0.6925(2) 0.09783(17) 0.91554(16) 0.0324(5) Uani 1 1 d . . .
C7_2 C 0.61381(18) 0.18421(16) 0.90403(15) 0.0280(4) Uani 1 1 d . . .
H7_2 H 0.592601 0.195090 0.960058 0.034 Uiso 1 1 calc R U .
C8_2 C 0.48079(16) 0.32602(14) 0.83219(13) 0.0194(4) Uani 1 1 d . . .
C9_2 C 0.36906(17) 0.28913(16) 0.82704(15) 0.0278(4) Uani 1 1 d . . .
H9A_2 H 0.357156 0.225218 0.883346 0.042 Uiso 1 1 calc R U .
H9B_2 H 0.370510 0.278157 0.768659 0.042 Uiso 1 1 calc R U .
H9C_2 H 0.308382 0.340537 0.825819 0.042 Uiso 1 1 calc R U .
C10_2 C 0.47960(19) 0.34683(16) 0.92105(14) 0.0269(4) Uani 1 1 d . . .
H10A_2 H 0.451662 0.289196 0.977314 0.040 Uiso 1 1 calc R U .
H10B_2 H 0.430984 0.408593 0.912117 0.040 Uiso 1 1 calc R U .
H10C_2 H 0.555384 0.356066 0.930728 0.040 Uiso 1 1 calc R U .
P1_3 P 0.53278(4) 0.72475(3) 0.48369(3) 0.01450(10) Uani 1 1 d . . .
O1_3 O 0.82608(11) 0.54767(10) 0.70920(9) 0.0207(3) Uani 1 1 d . . .
O2_3 O 0.57793(10) 0.61330(9) 0.51647(9) 0.0153(2) Uani 1 1 d . . .
O3_3 O 0.44954(10) 0.73784(10) 0.56044(9) 0.0184(3) Uani 1 1 d . . .
O4_3 O 0.48996(11) 0.77678(10) 0.38433(9) 0.0191(3) Uani 1 1 d . . .
N1_3 N 0.70877(12) 0.72564(12) 0.57111(11) 0.0170(3) Uani 1 1 d . . .
C1_3 C 0.84730(15) 0.61014(15) 0.74436(14) 0.0215(4) Uani 1 1 d . . .
C2_3 C 0.91235(17) 0.57345(17) 0.82515(16) 0.0289(4) Uani 1 1 d . . .
H2_3 H 0.942808 0.504635 0.850637 0.035 Uiso 1 1 calc R U .
C3_3 C 0.9328(2) 0.63449(19) 0.86791(17) 0.0357(5) Uani 1 1 d . . .
H3_3 H 0.975632 0.606887 0.922945 0.043 Uiso 1 1 calc R U .
C4_3 C 0.8917(2) 0.73610(19) 0.83161(19) 0.0389(6) Uani 1 1 d . . .
H4_3 H 0.904996 0.777801 0.861932 0.047 Uiso 1 1 calc R U .
C5_3 C 0.83133(18) 0.77518(17) 0.75114(17) 0.0311(5) Uani 1 1 d . . .
H5_3 H 0.803913 0.844838 0.725673 0.037 Uiso 1 1 calc R U .
C6_3 C 0.80890(16) 0.71499(15) 0.70522(14) 0.0226(4) Uani 1 1 d . . .
C7_3 C 0.74790(15) 0.76690(15) 0.61902(14) 0.0212(4) Uani 1 1 d . . .
H7_3 H 0.735426 0.838741 0.595334 0.025 Uiso 1 1 calc R U .
C8_3 C 0.65544(15) 0.78997(14) 0.47909(13) 0.0181(4) Uani 1 1 d . . .
C9_3 C 0.62226(17) 0.90059(15) 0.46097(15) 0.0250(4) Uani 1 1 d . . .
H9A_3 H 0.689467 0.936151 0.449756 0.038 Uiso 1 1 calc R U .
H9B_3 H 0.578352 0.903110 0.517010 0.038 Uiso 1 1 calc R U .
H9C_3 H 0.577662 0.933522 0.404496 0.038 Uiso 1 1 calc R U .
C10_3 C 0.73806(16) 0.78440(16) 0.39866(14) 0.0244(4) Uani 1 1 d . . .
H10A_3 H 0.805111 0.816676 0.396731 0.037 Uiso 1 1 calc R U .
H10B_3 H 0.703409 0.819895 0.336989 0.037 Uiso 1 1 calc R U .
H10C_3 H 0.758386 0.713087 0.410930 0.037 Uiso 1 1 calc R U .
O1_4 O 0.52732(14) 0.89226(13) 0.72194(11) 0.0351(4) Uani 1 1 d . . .
H1_4 H 0.576612 0.930045 0.687691 0.042 Uiso 1 1 calc R U .
C1_4 C 0.5108(3) 0.8995(3) 0.8099(2) 0.0731(11) Uani 1 1 d . . .
H1A_4 H 0.480056 0.968436 0.799263 0.110 Uiso 1 1 calc R U .
H1B_4 H 0.582177 0.884448 0.839905 0.110 Uiso 1 1 calc R U .
H1C_4 H 0.458704 0.850558 0.852214 0.110 Uiso 1 1 calc R U .
O1_5 O 0.56387(14) 0.63074(12) 0.79502(12) 0.0358(4) Uani 1 1 d . . .
H1_5 H 0.568763 0.581568 0.779887 0.043 Uiso 1 1 calc R U .
C1_5 C 0.6053(2) 0.5980(2) 0.88613(17) 0.0418(6) Uani 1 1 d . . .
H1A_5 H 0.664945 0.543472 0.895474 0.063 Uiso 1 1 calc R U .
H1B_5 H 0.545075 0.572674 0.935589 0.063 Uiso 1 1 calc R U .
H1C_5 H 0.634775 0.655130 0.890833 0.063 Uiso 1 1 calc R U .
O1_6 O 0.71845(19) 0.41073(16) 1.09139(13) 0.0541(5) Uani 1 1 d . . .
H1_6 H 0.705165 0.366055 1.146957 0.065 Uiso 1 1 calc R U .
C1_6 C 0.7846(2) 0.4814(3) 1.0960(2) 0.0566(8) Uani 1 1 d . . .
H1A_6 H 0.796773 0.535540 1.031626 0.085 Uiso 1 1 calc R U .
H1B_6 H 0.856577 0.446844 1.121132 0.085 Uiso 1 1 calc R U .
H1C_6 H 0.746479 0.510900 1.138486 0.085 Uiso 1 1 calc R U .
O1_7 O 0.69735(15) 0.00557(12) 0.65277(11) 0.0364(4) Uani 1 1 d . . .
H1_7 H 0.687551 0.037896 0.687046 0.044 Uiso 1 1 calc R U .
C1_7 C 0.7459(2) 0.06670(17) 0.56267(16) 0.0350(5) Uani 1 1 d . . .
H1A_7 H 0.794830 0.111186 0.570033 0.053 Uiso 1 1 calc R U .
H1B_7 H 0.687156 0.108213 0.519853 0.053 Uiso 1 1 calc R U .
H1C_7 H 0.789420 0.023358 0.535270 0.053 Uiso 1 1 calc R U .
O1_8 O 0.87825(14) 0.26896(14) 0.76147(12) 0.0408(4) Uani 1 1 d . . .
H1_8 H 0.847127 0.271967 0.714144 0.049 Uiso 1 1 calc R U .
C1_8 C 0.9722(3) 0.1971(3) 0.7802(2) 0.0619(9) Uani 1 1 d . . .
H1A_8 H 0.956702 0.140688 0.766181 0.093 Uiso 1 1 calc R U .
H1B_8 H 0.988604 0.171004 0.847788 0.093 Uiso 1 1 calc R U .
H1C_8 H 1.036543 0.229621 0.739488 0.093 Uiso 1 1 calc R U .
O1_9 O 0.78698(15) 0.32923(15) 0.96389(13) 0.0444(4) Uani 1 1 d . . .
H1_9 H 0.759926 0.353396 1.002777 0.053 Uiso 1 1 calc R U .
C1_9 C 0.8849(2) 0.2655(2) 0.9997(2) 0.0486(7) Uani 1 1 d . . .
H1A_9 H 0.881627 0.239744 1.069770 0.073 Uiso 1 1 calc R U .
H1B_9 H 0.950147 0.304351 0.972264 0.073 Uiso 1 1 calc R U .
H1C_9 H 0.890794 0.208187 0.981939 0.073 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O2_2 Co1 O2_2 180.0 2_666 .
O2_2 Co1 O2_1 92.83(5) 2_666 2_666
O2_2 Co1 O2_1 87.17(5) . 2_666
O2_2 Co1 O2_1 87.17(5) 2_666 .
O2_2 Co1 O2_1 92.83(5) . .
O2_1 Co1 O2_1 180.0 2_666 .
O2_2 Co1 O2_3 89.73(5) 2_666 2_666
O2_2 Co1 O2_3 90.27(5) . 2_666
O2_1 Co1 O2_3 87.17(5) 2_666 2_666
O2_1 Co1 O2_3 92.83(5) . 2_666
O2_2 Co1 O2_3 90.27(5) 2_666 .
O2_2 Co1 O2_3 89.73(5) . .
O2_1 Co1 O2_3 92.83(5) 2_666 .
O2_1 Co1 O2_3 87.17(5) . .
O2_3 Co1 O2_3 180.0 2_666 .
O3_2 Co2 O3_3 106.78(5) . .
O3_2 Co2 N1_1 128.71(6) . .
O3_3 Co2 N1_1 124.41(6) . .
O3_2 Co2 O1_1 96.84(5) . .
O3_3 Co2 O1_1 87.71(5) . .
N1_1 Co2 O1_1 88.72(6) . .
O3_2 Co2 O2_1 87.81(5) . .
O3_3 Co2 O2_1 96.20(5) . .
N1_1 Co2 O2_1 84.11(5) . .
O1_1 Co2 O2_1 172.82(5) . .
O4_3 Co3 O4_1 110.96(5) . .
O4_3 Co3 O1_2 98.30(5) . 2_666
O4_1 Co3 O1_2 92.34(6) . 2_666
O4_3 Co3 N1_2 126.52(6) . 2_666
O4_1 Co3 N1_2 121.63(6) . 2_666
O1_2 Co3 N1_2 89.08(6) 2_666 2_666
O4_3 Co3 O2_2 86.31(5) . 2_666
O4_1 Co3 O2_2 92.80(5) . 2_666
O1_2 Co3 O2_2 171.38(5) 2_666 2_666
N1_2 Co3 O2_2 82.33(5) 2_666 2_666
O3_1 Co4 O1_3 96.32(5) . 2_666
O3_1 Co4 N1_3 128.62(6) . 2_666
O1_3 Co4 N1_3 90.38(6) 2_666 2_666
O3_1 Co4 O4_2 106.32(6) . 2_666
O1_3 Co4 O4_2 86.85(5) 2_666 2_666
N1_3 Co4 O4_2 124.92(6) 2_666 2_666
O3_1 Co4 O2_3 88.32(5) . 2_666
O1_3 Co4 O2_3 174.52(5) 2_666 2_666
N1_3 Co4 O2_3 84.44(5) 2_666 2_666
O4_2 Co4 O2_3 94.65(5) 2_666 2_666
O1_5 Na1 O1_4 102.00(7) . .
O1_5 Na1 O3_3 107.57(6) . .
O1_4 Na1 O3_3 138.98(7) . .
O1_5 Na1 O1_1 100.35(7) . .
O1_4 Na1 O1_1 125.85(7) . .
O3_3 Na1 O1_1 75.99(5) . .
O1_8 Na2 O1_3 114.07(7) . .
O1_8 Na2 O1_9 106.11(7) . .
O1_3 Na2 O1_9 116.81(7) . .
O1_8 Na2 O4_2 125.46(6) . .
O1_3 Na2 O4_2 74.95(5) . .
O1_9 Na2 O4_2 116.97(7) . .
O3_1 P1_1 O2_1 116.22(7) . .
O3_1 P1_1 O4_1 111.65(8) . .
O2_1 P1_1 O4_1 110.98(7) . .
O3_1 P1_1 C8_1 105.49(8) . .
O2_1 P1_1 C8_1 103.57(8) . .
O4_1 P1_1 C8_1 108.16(8) . .
C1_1 O1_1 Co2 123.63(12) . .
C1_1 O1_1 Na1 111.91(12) . .
Co2 O1_1 Na1 91.66(5) . .
P1_1 O2_1 Co1 124.74(7) . .
P1_1 O2_1 Co2 112.48(6) . .
Co1 O2_1 Co2 121.67(6) . .
P1_1 O3_1 Co4 137.48(8) . .
P1_1 O4_1 Co3 124.44(7) . .
C7_1 N1_1 C8_1 120.08(16) . .
C7_1 N1_1 Co2 124.46(13) . .
C8_1 N1_1 Co2 115.33(11) . .
O1_1 C1_1 C2_1 119.39(19) . .
O1_1 C1_1 C6_1 123.32(17) . .
C2_1 C1_1 C6_1 117.29(18) . .
C3_1 C2_1 C1_1 122.1(2) . .
C3_1 C2_1 H2_1 119.0 . .
C1_1 C2_1 H2_1 119.0 . .
C2_1 C3_1 C4_1 120.7(2) . .
C2_1 C3_1 H3_1 119.7 . .
C4_1 C3_1 H3_1 119.7 . .
C5_1 C4_1 C3_1 118.4(2) . .
C5_1 C4_1 H4_1 120.8 . .
C3_1 C4_1 H4_1 120.8 . .
C4_1 C5_1 C6_1 122.1(2) . .
C4_1 C5_1 H5_1 118.9 . .
C6_1 C5_1 H5_1 118.9 . .
C5_1 C6_1 C1_1 119.35(19) . .
C5_1 C6_1 C7_1 116.14(19) . .
C1_1 C6_1 C7_1 124.50(17) . .
N1_1 C7_1 C6_1 126.67(18) . .
N1_1 C7_1 H7_1 116.7 . .
C6_1 C7_1 H7_1 116.7 . .
N1_1 C8_1 C10_1 115.19(15) . .
N1_1 C8_1 C9_1 106.31(15) . .
C10_1 C8_1 C9_1 110.59(16) . .
N1_1 C8_1 P1_1 105.24(12) . .
C10_1 C8_1 P1_1 110.70(13) . .
C9_1 C8_1 P1_1 108.46(13) . .
C8_1 C9_1 H9A_1 109.5 . .
C8_1 C9_1 H9B_1 109.5 . .
H9A_1 C9_1 H9B_1 109.5 . .
C8_1 C9_1 H9C_1 109.5 . .
H9A_1 C9_1 H9C_1 109.5 . .
H9B_1 C9_1 H9C_1 109.5 . .
C8_1 C10_1 H10A_1 109.5 . .
C8_1 C10_1 H10B_1 109.5 . .
H10A_1 C10_1 H10B_1 109.5 . .
C8_1 C10_1 H10C_1 109.5 . .
H10A_1 C10_1 H10C_1 109.5 . .
H10B_1 C10_1 H10C_1 109.5 . .
O3_2 P1_2 O2_2 117.40(7) . .
O3_2 P1_2 O4_2 111.39(7) . .
O2_2 P1_2 O4_2 110.45(7) . .
O3_2 P1_2 C8_2 105.88(8) . .
O2_2 P1_2 C8_2 103.73(8) . .
O4_2 P1_2 C8_2 107.11(8) . .
C1_2 O1_2 Co3 127.76(13) . 2_666
P1_2 O2_2 Co1 124.09(7) . .
P1_2 O2_2 Co3 111.17(6) . 2_666
Co1 O2_2 Co3 122.52(5) . 2_666
P1_2 O3_2 Co2 138.46(8) . .
P1_2 O4_2 Co4 122.84(7) . 2_666
P1_2 O4_2 Na2 130.16(8) . .
Co4 O4_2 Na2 88.49(5) 2_666 .
C7_2 N1_2 C8_2 118.63(16) . .
C7_2 N1_2 Co3 124.28(14) . 2_666
C8_2 N1_2 Co3 117.07(11) . 2_666
O1_2 C1_2 C6_2 123.17(19) . .
O1_2 C1_2 C2_2 119.8(2) . .
C6_2 C1_2 C2_2 117.1(2) . .
C3_2 C2_2 C1_2 121.4(2) . .
C3_2 C2_2 H2_2 119.3 . .
C1_2 C2_2 H2_2 119.3 . .
C2_2 C3_2 C4_2 121.3(2) . .
C2_2 C3_2 H3_2 119.4 . .
C4_2 C3_2 H3_2 119.4 . .
C5_2 C4_2 C3_2 118.6(2) . .
C5_2 C4_2 H4_2 120.7 . .
C3_2 C4_2 H4_2 120.7 . .
C4_2 C5_2 C6_2 121.7(2) . .
C4_2 C5_2 H5_2 119.1 . .
C6_2 C5_2 H5_2 119.1 . .
C5_2 C6_2 C1_2 120.0(2) . .
C5_2 C6_2 C7_2 116.0(2) . .
C1_2 C6_2 C7_2 123.97(19) . .
N1_2 C7_2 C6_2 127.33(19) . .
N1_2 C7_2 H7_2 116.3 . .
C6_2 C7_2 H7_2 116.3 . .
N1_2 C8_2 C10_2 115.25(15) . .
N1_2 C8_2 C9_2 106.37(15) . .
C10_2 C8_2 C9_2 110.60(16) . .
N1_2 C8_2 P1_2 105.40(12) . .
C10_2 C8_2 P1_2 110.39(13) . .
C9_2 C8_2 P1_2 108.48(13) . .
C8_2 C9_2 H9A_2 109.5 . .
C8_2 C9_2 H9B_2 109.5 . .
H9A_2 C9_2 H9B_2 109.5 . .
C8_2 C9_2 H9C_2 109.5 . .
H9A_2 C9_2 H9C_2 109.5 . .
H9B_2 C9_2 H9C_2 109.5 . .
C8_2 C10_2 H10A_2 109.5 . .
C8_2 C10_2 H10B_2 109.5 . .
H10A_2 C10_2 H10B_2 109.5 . .
C8_2 C10_2 H10C_2 109.5 . .
H10A_2 C10_2 H10C_2 109.5 . .
H10B_2 C10_2 H10C_2 109.5 . .
O4_3 P1_3 O2_3 116.33(7) . .
O4_3 P1_3 O3_3 112.89(7) . .
O2_3 P1_3 O3_3 110.44(7) . .
O4_3 P1_3 C8_3 105.58(8) . .
O2_3 P1_3 C8_3 103.92(8) . .
O3_3 P1_3 C8_3 106.68(8) . .
C1_3 O1_3 Co4 126.28(12) . 2_666
C1_3 O1_3 Na2 123.71(12) . .
Co4 O1_3 Na2 91.77(5) 2_666 .
P1_3 O2_3 Co1 125.49(7) . .
P1_3 O2_3 Co4 111.67(6) . 2_666
Co1 O2_3 Co4 120.97(6) . 2_666
P1_3 O3_3 Co2 121.94(7) . .
P1_3 O3_3 Na1 131.84(8) . .
Co2 O3_3 Na1 94.57(6) . .
P1_3 O4_3 Co3 138.63(8) . .
C7_3 N1_3 C8_3 120.50(16) . .
C7_3 N1_3 Co4 123.73(13) . 2_666
C8_3 N1_3 Co4 115.71(11) . 2_666
O1_3 C1_3 C2_3 119.38(18) . .
O1_3 C1_3 C6_3 123.48(17) . .
C2_3 C1_3 C6_3 117.14(18) . .
C3_3 C2_3 C1_3 121.9(2) . .
C3_3 C2_3 H2_3 119.1 . .
C1_3 C2_3 H2_3 119.1 . .
C2_3 C3_3 C4_3 120.8(2) . .
C2_3 C3_3 H3_3 119.6 . .
C4_3 C3_3 H3_3 119.6 . .
C5_3 C4_3 C3_3 118.8(2) . .
C5_3 C4_3 H4_3 120.6 . .
C3_3 C4_3 H4_3 120.6 . .
C4_3 C5_3 C6_3 121.9(2) . .
C4_3 C5_3 H5_3 119.0 . .
C6_3 C5_3 H5_3 119.0 . .
C5_3 C6_3 C1_3 119.28(18) . .
C5_3 C6_3 C7_3 116.10(18) . .
C1_3 C6_3 C7_3 124.62(17) . .
N1_3 C7_3 C6_3 126.72(18) . .
N1_3 C7_3 H7_3 116.6 . .
C6_3 C7_3 H7_3 116.6 . .
N1_3 C8_3 C9_3 115.62(15) . .
N1_3 C8_3 C10_3 106.50(15) . .
C9_3 C8_3 C10_3 110.27(16) . .
N1_3 C8_3 P1_3 104.65(12) . .
C9_3 C8_3 P1_3 111.01(13) . .
C10_3 C8_3 P1_3 108.40(12) . .
C8_3 C9_3 H9A_3 109.5 . .
C8_3 C9_3 H9B_3 109.5 . .
H9A_3 C9_3 H9B_3 109.5 . .
C8_3 C9_3 H9C_3 109.5 . .
H9A_3 C9_3 H9C_3 109.5 . .
H9B_3 C9_3 H9C_3 109.5 . .
C8_3 C10_3 H10A_3 109.5 . .
C8_3 C10_3 H10B_3 109.5 . .
H10A_3 C10_3 H10B_3 109.5 . .
C8_3 C10_3 H10C_3 109.5 . .
H10A_3 C10_3 H10C_3 109.5 . .
H10B_3 C10_3 H10C_3 109.5 . .
C1_4 O1_4 Na1 126.01(17) . .
C1_4 O1_4 H1_4 109.5 . .
Na1 O1_4 H1_4 122.2 . .
O1_4 C1_4 H1A_4 109.5 . .
O1_4 C1_4 H1B_4 109.5 . .
H1A_4 C1_4 H1B_4 109.5 . .
O1_4 C1_4 H1C_4 109.5 . .
H1A_4 C1_4 H1C_4 109.5 . .
H1B_4 C1_4 H1C_4 109.5 . .
C1_5 O1_5 Na1 137.86(15) . .
C1_5 O1_5 H1_5 109.5 . .
Na1 O1_5 H1_5 112.2 . .
O1_5 C1_5 H1A_5 109.5 . .
O1_5 C1_5 H1B_5 109.5 . .
H1A_5 C1_5 H1B_5 109.5 . .
O1_5 C1_5 H1C_5 109.5 . .
H1A_5 C1_5 H1C_5 109.5 . .
H1B_5 C1_5 H1C_5 109.5 . .
C1_6 O1_6 H1_6 109.5 . .
O1_6 C1_6 H1A_6 109.5 . .
O1_6 C1_6 H1B_6 109.5 . .
H1A_6 C1_6 H1B_6 109.5 . .
O1_6 C1_6 H1C_6 109.5 . .
H1A_6 C1_6 H1C_6 109.5 . .
H1B_6 C1_6 H1C_6 109.5 . .
C1_7 O1_7 H1_7 109.5 . .
O1_7 C1_7 H1A_7 109.5 . .
O1_7 C1_7 H1B_7 109.5 . .
H1A_7 C1_7 H1B_7 109.5 . .
O1_7 C1_7 H1C_7 109.5 . .
H1A_7 C1_7 H1C_7 109.5 . .
H1B_7 C1_7 H1C_7 109.5 . .
C1_8 O1_8 Na2 146.13(16) . .
C1_8 O1_8 H1_8 109.5 . .
Na2 O1_8 H1_8 104.3 . .
O1_8 C1_8 H1A_8 109.5 . .
O1_8 C1_8 H1B_8 109.5 . .
H1A_8 C1_8 H1B_8 109.5 . .
O1_8 C1_8 H1C_8 109.5 . .
H1A_8 C1_8 H1C_8 109.5 . .
H1B_8 C1_8 H1C_8 109.5 . .
C1_9 O1_9 Na2 113.02(15) . .
C1_9 O1_9 H1_9 109.5 . .
Na2 O1_9 H1_9 132.6 . .
O1_9 C1_9 H1A_9 109.5 . .
O1_9 C1_9 H1B_9 109.5 . .
H1A_9 C1_9 H1B_9 109.5 . .
O1_9 C1_9 H1C_9 109.5 . .
H1A_9 C1_9 H1C_9 109.5 . .
H1B_9 C1_9 H1C_9 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2_2 2.0703(12) 2_666
Co1 O2_2 2.0703(12) .
Co1 O2_1 2.1033(12) 2_666
Co1 O2_1 2.1033(12) .
Co1 O2_3 2.1204(12) 2_666
Co1 O2_3 2.1204(12) .
Co2 O3_2 1.9647(13) .
Co2 O3_3 2.0051(13) .
Co2 N1_1 2.0438(15) .
Co2 O1_1 2.0792(13) .
Co2 O2_1 2.1795(12) .
Co3 O4_3 1.9542(13) .
Co3 O4_1 2.0037(13) .
Co3 O1_2 2.0138(14) 2_666
Co3 N1_2 2.0564(16) 2_666
Co3 O2_2 2.2580(12) 2_666
Co4 O3_1 1.9504(13) .
Co4 O1_3 2.0211(13) 2_666
Co4 N1_3 2.0419(15) 2_666
Co4 O4_2 2.0602(13) 2_666
Co4 O2_3 2.1737(12) 2_666
Na1 O1_5 2.2152(19) .
Na1 O1_4 2.2553(18) .
Na1 O3_3 2.2827(15) .
Na1 O1_1 2.3149(16) .
Na2 O1_8 2.2433(19) .
Na2 O1_3 2.2640(16) .
Na2 O1_9 2.300(2) .
Na2 O4_2 2.3461(15) .
P1_1 O3_1 1.5096(13) .
P1_1 O2_1 1.5308(12) .
P1_1 O4_1 1.5362(14) .
P1_1 C8_1 1.8381(19) .
O1_1 C1_1 1.328(2) .
N1_1 C7_1 1.284(2) .
N1_1 C8_1 1.489(2) .
C1_1 C2_1 1.412(3) .
C1_1 C6_1 1.415(3) .
C2_1 C3_1 1.378(3) .
C2_1 H2_1 0.9500 .
C3_1 C4_1 1.392(4) .
C3_1 H3_1 0.9500 .
C4_1 C5_1 1.382(3) .
C4_1 H4_1 0.9500 .
C5_1 C6_1 1.409(3) .
C5_1 H5_1 0.9500 .
C6_1 C7_1 1.453(3) .
C7_1 H7_1 0.9500 .
C8_1 C10_1 1.527(3) .
C8_1 C9_1 1.539(3) .
C9_1 H9A_1 0.9800 .
C9_1 H9B_1 0.9800 .
C9_1 H9C_1 0.9800 .
C10_1 H10A_1 0.9800 .
C10_1 H10B_1 0.9800 .
C10_1 H10C_1 0.9800 .
P1_2 O3_2 1.5109(13) .
P1_2 O2_2 1.5232(12) .
P1_2 O4_2 1.5420(13) .
P1_2 C8_2 1.8305(19) .
O1_2 C1_2 1.309(3) .
N1_2 C7_2 1.287(3) .
N1_2 C8_2 1.488(2) .
C1_2 C6_2 1.412(3) .
C1_2 C2_2 1.415(3) .
C2_2 C3_2 1.382(4) .
C2_2 H2_2 0.9500 .
C3_2 C4_2 1.387(4) .
C3_2 H3_2 0.9500 .
C4_2 C5_2 1.371(4) .
C4_2 H4_2 0.9500 .
C5_2 C6_2 1.412(3) .
C5_2 H5_2 0.9500 .
C6_2 C7_2 1.443(3) .
C7_2 H7_2 0.9500 .
C8_2 C10_2 1.527(3) .
C8_2 C9_2 1.539(3) .
C9_2 H9A_2 0.9800 .
C9_2 H9B_2 0.9800 .
C9_2 H9C_2 0.9800 .
C10_2 H10A_2 0.9800 .
C10_2 H10B_2 0.9800 .
C10_2 H10C_2 0.9800 .
P1_3 O4_3 1.5081(13) .
P1_3 O2_3 1.5299(13) .
P1_3 O3_3 1.5352(13) .
P1_3 C8_3 1.8415(18) .
O1_3 C1_3 1.307(2) .
N1_3 C7_3 1.290(2) .
N1_3 C8_3 1.490(2) .
C1_3 C2_3 1.413(3) .
C1_3 C6_3 1.421(3) .
C2_3 C3_3 1.374(3) .
C2_3 H2_3 0.9500 .
C3_3 C4_3 1.390(3) .
C3_3 H3_3 0.9500 .
C4_3 C5_3 1.374(3) .
C4_3 H4_3 0.9500 .
C5_3 C6_3 1.410(3) .
C5_3 H5_3 0.9500 .
C6_3 C7_3 1.449(3) .
C7_3 H7_3 0.9500 .
C8_3 C9_3 1.526(3) .
C8_3 C10_3 1.536(3) .
C9_3 H9A_3 0.9800 .
C9_3 H9B_3 0.9800 .
C9_3 H9C_3 0.9800 .
C10_3 H10A_3 0.9800 .
C10_3 H10B_3 0.9800 .
C10_3 H10C_3 0.9800 .
O1_4 C1_4 1.401(3) .
O1_4 H1_4 0.8400 .
C1_4 H1A_4 0.9800 .
C1_4 H1B_4 0.9800 .
C1_4 H1C_4 0.9800 .
O1_5 C1_5 1.406(3) .
O1_5 H1_5 0.8400 .
C1_5 H1A_5 0.9800 .
C1_5 H1B_5 0.9800 .
C1_5 H1C_5 0.9800 .
O1_6 C1_6 1.412(4) .
O1_6 H1_6 0.8400 .
C1_6 H1A_6 0.9800 .
C1_6 H1B_6 0.9800 .
C1_6 H1C_6 0.9800 .
O1_7 C1_7 1.405(3) .
O1_7 H1_7 0.8400 .
C1_7 H1A_7 0.9800 .
C1_7 H1B_7 0.9800 .
C1_7 H1C_7 0.9800 .
O1_8 C1_8 1.414(3) .
O1_8 H1_8 0.8400 .
C1_8 H1A_8 0.9800 .
C1_8 H1B_8 0.9800 .
C1_8 H1C_8 0.9800 .
O1_9 C1_9 1.417(3) .
O1_9 H1_9 0.8400 .
C1_9 H1A_9 0.9800 .
C1_9 H1B_9 0.9800 .
C1_9 H1C_9 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1_4 H1_4 O1_7 0.84 1.84 2.643(2) 160.7 1_565 yes
O1_5 H1_5 O4_2 0.84 1.92 2.747(2) 166.6 . yes
O1_6 H1_6 O1_1 0.84 1.91 2.729(2) 163.3 2_667 yes
O1_7 H1_7 O1_2 0.84 1.77 2.610(2) 173.8 . yes
O1_8 H1_8 O4_1 0.84 1.87 2.684(2) 164.5 2_666 yes
O1_9 H1_9 O1_6 0.84 1.89 2.724(3) 172.5 . yes
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_4
O3_1 P1_1 O2_1 Co1 44.21(12) . .
O4_1 P1_1 O2_1 Co1 -84.78(10) . .
C8_1 P1_1 O2_1 Co1 159.37(9) . .
O3_1 P1_1 O2_1 Co2 -147.76(7) . .
O4_1 P1_1 O2_1 Co2 83.24(8) . .
C8_1 P1_1 O2_1 Co2 -32.60(9) . .
O2_1 P1_1 O3_1 Co4 -50.82(16) . .
O4_1 P1_1 O3_1 Co4 77.85(14) . .
C8_1 P1_1 O3_1 Co4 -164.90(12) . .
O3_1 P1_1 O4_1 Co3 -96.42(10) . .
O2_1 P1_1 O4_1 Co3 34.97(11) . .
C8_1 P1_1 O4_1 Co3 147.95(9) . .
Co2 O1_1 C1_1 C2_1 -157.16(15) . .
Na1 O1_1 C1_1 C2_1 -49.4(2) . .
Co2 O1_1 C1_1 C6_1 23.6(3) . .
Na1 O1_1 C1_1 C6_1 131.40(17) . .
O1_1 C1_1 C2_1 C3_1 178.3(2) . .
C6_1 C1_1 C2_1 C3_1 -2.4(3) . .
C1_1 C2_1 C3_1 C4_1 0.3(4) . .
C2_1 C3_1 C4_1 C5_1 1.7(4) . .
C3_1 C4_1 C5_1 C6_1 -1.6(4) . .
C4_1 C5_1 C6_1 C1_1 -0.5(3) . .
C4_1 C5_1 C6_1 C7_1 178.4(2) . .
O1_1 C1_1 C6_1 C5_1 -178.32(19) . .
C2_1 C1_1 C6_1 C5_1 2.5(3) . .
O1_1 C1_1 C6_1 C7_1 2.9(3) . .
C2_1 C1_1 C6_1 C7_1 -176.30(19) . .
C8_1 N1_1 C7_1 C6_1 176.64(18) . .
Co2 N1_1 C7_1 C6_1 -7.7(3) . .
C5_1 C6_1 C7_1 N1_1 169.0(2) . .
C1_1 C6_1 C7_1 N1_1 -12.2(3) . .
C7_1 N1_1 C8_1 C10_1 13.9(3) . .
Co2 N1_1 C8_1 C10_1 -162.21(13) . .
C7_1 N1_1 C8_1 C9_1 -109.00(19) . .
Co2 N1_1 C8_1 C9_1 74.93(15) . .
C7_1 N1_1 C8_1 P1_1 136.07(16) . .
Co2 N1_1 C8_1 P1_1 -40.01(14) . .
O3_1 P1_1 C8_1 N1_1 168.62(11) . .
O2_1 P1_1 C8_1 N1_1 46.04(13) . .
O4_1 P1_1 C8_1 N1_1 -71.79(13) . .
O3_1 P1_1 C8_1 C10_1 -66.31(15) . .
O2_1 P1_1 C8_1 C10_1 171.10(13) . .
O4_1 P1_1 C8_1 C10_1 53.27(15) . .
O3_1 P1_1 C8_1 C9_1 55.19(14) . .
O2_1 P1_1 C8_1 C9_1 -67.40(14) . .
O4_1 P1_1 C8_1 C9_1 174.78(12) . .
O3_2 P1_2 O2_2 Co1 44.28(11) . .
O4_2 P1_2 O2_2 Co1 -84.89(9) . .
C8_2 P1_2 O2_2 Co1 160.64(9) . .
O3_2 P1_2 O2_2 Co3 -152.38(7) . 2_666
O4_2 P1_2 O2_2 Co3 78.45(8) . 2_666
C8_2 P1_2 O2_2 Co3 -36.02(9) . 2_666
O2_2 P1_2 O3_2 Co2 -45.55(15) . .
O4_2 P1_2 O3_2 Co2 83.17(13) . .
C8_2 P1_2 O3_2 Co2 -160.73(12) . .
O3_2 P1_2 O4_2 Co4 -87.41(9) . 2_666
O2_2 P1_2 O4_2 Co4 44.92(10) . 2_666
C8_2 P1_2 O4_2 Co4 157.24(8) . 2_666
O3_2 P1_2 O4_2 Na2 152.35(9) . .
O2_2 P1_2 O4_2 Na2 -75.32(10) . .
C8_2 P1_2 O4_2 Na2 37.01(11) . .
Co3 O1_2 C1_2 C6_2 18.3(3) 2_666 .
Co3 O1_2 C1_2 C2_2 -162.60(19) 2_666 .
O1_2 C1_2 C2_2 C3_2 -178.9(3) . .
C6_2 C1_2 C2_2 C3_2 0.3(4) . .
C1_2 C2_2 C3_2 C4_2 0.0(6) . .
C2_2 C3_2 C4_2 C5_2 -0.1(6) . .
C3_2 C4_2 C5_2 C6_2 0.0(6) . .
C4_2 C5_2 C6_2 C1_2 0.3(5) . .
C4_2 C5_2 C6_2 C7_2 177.8(3) . .
O1_2 C1_2 C6_2 C5_2 178.7(3) . .
C2_2 C1_2 C6_2 C5_2 -0.4(4) . .
O1_2 C1_2 C6_2 C7_2 1.5(4) . .
C2_2 C1_2 C6_2 C7_2 -177.7(2) . .
C8_2 N1_2 C7_2 C6_2 173.8(2) . .
Co3 N1_2 C7_2 C6_2 -4.7(3) 2_666 .
C5_2 C6_2 C7_2 N1_2 174.2(3) . .
C1_2 C6_2 C7_2 N1_2 -8.5(4) . .
C7_2 N1_2 C8_2 C10_2 20.5(3) . .
Co3 N1_2 C8_2 C10_2 -160.81(13) 2_666 .
C7_2 N1_2 C8_2 C9_2 -102.4(2) . .
Co3 N1_2 C8_2 C9_2 76.23(16) 2_666 .
C7_2 N1_2 C8_2 P1_2 142.52(17) . .
Co3 N1_2 C8_2 P1_2 -38.84(15) 2_666 .
O3_2 P1_2 C8_2 N1_2 171.95(11) . .
O2_2 P1_2 C8_2 N1_2 47.75(13) . .
O4_2 P1_2 C8_2 N1_2 -69.08(13) . .
O3_2 P1_2 C8_2 C10_2 -62.99(15) . .
O2_2 P1_2 C8_2 C10_2 172.81(13) . .
O4_2 P1_2 C8_2 C10_2 55.97(15) . .
O3_2 P1_2 C8_2 C9_2 58.35(14) . .
O2_2 P1_2 C8_2 C9_2 -65.85(14) . .
O4_2 P1_2 C8_2 C9_2 177.31(12) . .
O4_3 P1_3 O2_3 Co1 -45.49(11) . .
O3_3 P1_3 O2_3 Co1 84.88(9) . .
C8_3 P1_3 O2_3 Co1 -161.05(9) . .
O4_3 P1_3 O2_3 Co4 150.08(7) . 2_666
O3_3 P1_3 O2_3 Co4 -79.55(8) . 2_666
C8_3 P1_3 O2_3 Co4 34.53(9) . 2_666
O4_3 P1_3 O3_3 Co2 87.51(10) . .
O2_3 P1_3 O3_3 Co2 -44.65(10) . .
C8_3 P1_3 O3_3 Co2 -156.97(8) . .
O4_3 P1_3 O3_3 Na1 -139.32(10) . .
O2_3 P1_3 O3_3 Na1 88.51(11) . .
C8_3 P1_3 O3_3 Na1 -23.80(12) . .
O2_3 P1_3 O4_3 Co3 48.40(15) . .
O3_3 P1_3 O4_3 Co3 -80.80(13) . .
C8_3 P1_3 O4_3 Co3 163.03(12) . .
Co4 O1_3 C1_3 C2_3 164.56(14) 2_666 .
Na2 O1_3 C1_3 C2_3 42.2(2) . .
Co4 O1_3 C1_3 C6_3 -15.9(3) 2_666 .
Na2 O1_3 C1_3 C6_3 -138.29(16) . .
O1_3 C1_3 C2_3 C3_3 -176.8(2) . .
C6_3 C1_3 C2_3 C3_3 3.6(3) . .
C1_3 C2_3 C3_3 C4_3 -1.3(4) . .
C2_3 C3_3 C4_3 C5_3 -1.0(4) . .
C3_3 C4_3 C5_3 C6_3 0.8(4) . .
C4_3 C5_3 C6_3 C1_3 1.6(3) . .
C4_3 C5_3 C6_3 C7_3 -177.8(2) . .
O1_3 C1_3 C6_3 C5_3 176.79(19) . .
C2_3 C1_3 C6_3 C5_3 -3.7(3) . .
O1_3 C1_3 C6_3 C7_3 -3.9(3) . .
C2_3 C1_3 C6_3 C7_3 175.63(19) . .
C8_3 N1_3 C7_3 C6_3 -175.08(17) . .
Co4 N1_3 C7_3 C6_3 7.8(3) 2_666 .
C5_3 C6_3 C7_3 N1_3 -172.5(2) . .
C1_3 C6_3 C7_3 N1_3 8.1(3) . .
C7_3 N1_3 C8_3 C9_3 -16.1(2) . .
Co4 N1_3 C8_3 C9_3 161.17(13) 2_666 .
C7_3 N1_3 C8_3 C10_3 106.74(19) . .
Co4 N1_3 C8_3 C10_3 -75.96(15) 2_666 .
C7_3 N1_3 C8_3 P1_3 -138.56(15) . .
Co4 N1_3 C8_3 P1_3 38.74(14) 2_666 .
O4_3 P1_3 C8_3 N1_3 -169.56(11) . .
O2_3 P1_3 C8_3 N1_3 -46.64(13) . .
O3_3 P1_3 C8_3 N1_3 70.10(12) . .
O4_3 P1_3 C8_3 C9_3 65.04(14) . .
O2_3 P1_3 C8_3 C9_3 -172.03(13) . .
O3_3 P1_3 C8_3 C9_3 -55.29(15) . .
O4_3 P1_3 C8_3 C10_3 -56.21(14) . .
O2_3 P1_3 C8_3 C10_3 66.72(14) . .
O3_3 P1_3 C8_3 C10_3 -176.55(12) . .
