#------------------------------------------------------------------------------
#$Date: 2021-04-16 11:46:56 +0300 (Fri, 16 Apr 2021) $
#$Revision: 264242 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/87/4088757.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_4088757
loop_
_publ_author_name
'Carpenter, Alex E.'
'Chan, Chinglin'
'Rheingold, Arnold L.'
'Figueroa, Joshua S.'
_publ_section_title
;
 A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted
 Acidity as a Function of Isocyanide Ligation
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              2319
_journal_paper_doi               10.1021/acs.organomet.6b00375
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C32 H35 Co N Na O4'
_chemical_formula_sum            'C32 H35 Co N Na O4'
_chemical_formula_weight         579.53
_chemical_melting_point          ?
_chemical_name_common            Na(Et2O)[Co(CO)3(CNArMes2)]
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-04-29
_audit_creation_method
; 
Olex2 1.2 
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998) 
;
_cell_angle_alpha                104.217(8)
_cell_angle_beta                 111.985(8)
_cell_angle_gamma                90.688(8)
_cell_formula_units_Z            2
_cell_length_a                   11.2666(14)
_cell_length_b                   12.1163(14)
_cell_length_c                   12.1953(12)
_cell_measurement_reflns_used    2084
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.342
_cell_measurement_theta_min      2.885
_cell_volume                     1486.4(3)
_computing_cell_refinement       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       'BRUKER Apex 2'
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_unetI/netI     0.0703
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9483
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.113
_diffrn_reflns_theta_min         2.883
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.628
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
SADABS-2012/1 (Bruker,2012) was used for absorption correction. 
wR2(int) was 0.0557 before and 0.0333 after correction. 
The Ratio of minimum to maximum transmission is 0.7912. 
The λ/2 correction factor is 0.0015. 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.415
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         5765
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0471
_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)+(0.0493P)²+0.1640P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.1089
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4049
_reflns_number_total             5765
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om6b00375_si_002.cif
_cod_data_source_block           jfig816_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 

2021-04-11
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C64 H70 Co2 N2 Na2 O8'
_cod_original_formula_weight         1159.06
_cod_original_formula_moiety         'C64 H70 Co2 N2 Na2 O8'
_cod_original_formula_units_Z            1
_cod_database_code               4088757
_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   0.940
_shelx_estimated_absorpt_t_min   0.834
_olex2_refinement_description
; 
1. Fixed Uiso 
 At 1.2 times of: 
  All C(H) groups, All C(H,H) groups 
 At 1.5 times of: 
  All C(H,H,H) groups 
2.a Secondary CH2 refined with riding coordinates: 
 C30(H30A,H30B), C31(H31A,H31B) 
2.b Aromatic/amide H refined with riding coordinates: 
 C7(H7), C8(H8), C9(H9), C14(H14), C17(H17), C23(H23), C26(H26) 
2.c Idealised Me refined as rotating group: 
 C13(H13A,H13B,H13C), C16(H16A,H16B,H16C), C19(H19A,H19B,H19C), C22(H22A,H22B, 
 H22C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C32(H32A, 
 H32B,H32C) 
;
_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, -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
C1 C 0.4136(3) 0.2984(2) 0.1469(3) 0.0232(6) Uani 1 1 d .
C2 C 0.6847(3) 0.3020(2) 0.2794(3) 0.0293(7) Uani 1 1 d .
C3 C 0.6031(3) 0.2689(2) 0.0210(3) 0.0261(7) Uani 1 1 d .
C4 C 0.5867(3) 0.4847(3) 0.1703(3) 0.0266(7) Uani 1 1 d .
C5 C 0.1907(3) 0.2623(3) 0.1500(3) 0.0326(8) Uani 1 1 d .
C6 C 0.1909(3) 0.2387(3) 0.2565(3) 0.0379(8) Uani 1 1 d .
C7 C 0.0716(3) 0.2196(3) 0.2629(4) 0.0530(11) Uani 1 1 d .
H7 H 0.0678 0.2047 0.3345 0.064 Uiso 1 1 calc R
C8 C -0.0407(3) 0.2222(3) 0.1664(4) 0.0590(12) Uani 1 1 d .
H8 H -0.1212 0.2067 0.1712 0.071 Uiso 1 1 calc R
C9 C -0.0383(3) 0.2471(3) 0.0626(4) 0.0502(10) Uani 1 1 d .
H9 H -0.1169 0.2489 -0.0029 0.060 Uiso 1 1 calc R
C10 C 0.0785(3) 0.2695(3) 0.0531(3) 0.0363(8) Uani 1 1 d .
C11 C 0.3153(3) 0.2395(3) 0.3601(3) 0.0375(8) Uani 1 1 d .
C12 C 0.3852(3) 0.1447(3) 0.3550(3) 0.0361(8) Uani 1 1 d .
C13 C 0.3404(3) 0.0421(3) 0.2451(4) 0.0491(10) Uani 1 1 d .
H13A H 0.2460 0.0316 0.2074 0.074 Uiso 1 1 calc GR
H13B H 0.3714 -0.0263 0.2708 0.074 Uiso 1 1 calc GR
H13C H 0.3745 0.0539 0.1852 0.074 Uiso 1 1 calc GR
C14 C 0.5014(3) 0.1492(3) 0.4525(3) 0.0386(8) Uani 1 1 d .
H14 H 0.5479 0.0844 0.4505 0.046 Uiso 1 1 calc R
C15 C 0.5520(4) 0.2446(3) 0.5525(3) 0.0438(9) Uani 1 1 d .
C16 C 0.6790(4) 0.2477(3) 0.6553(3) 0.0584(11) Uani 1 1 d .
H16A H 0.6662 0.2582 0.7322 0.088 Uiso 1 1 calc GR
H16B H 0.7385 0.3116 0.6631 0.088 Uiso 1 1 calc GR
H16C H 0.7152 0.1755 0.6376 0.088 Uiso 1 1 calc GR
C17 C 0.4806(4) 0.3378(3) 0.5539(3) 0.0491(10) Uani 1 1 d .
H17 H 0.5130 0.4039 0.6219 0.059 Uiso 1 1 calc R
C18 C 0.3642(4) 0.3372(3) 0.4596(3) 0.0451(9) Uani 1 1 d .
C19 C 0.2933(4) 0.4426(3) 0.4629(4) 0.0624(12) Uani 1 1 d .
H19A H 0.2806 0.4684 0.3896 0.094 Uiso 1 1 calc GR
H19B H 0.3441 0.5038 0.5365 0.094 Uiso 1 1 calc GR
H19C H 0.2094 0.4239 0.4648 0.094 Uiso 1 1 calc GR
C20 C 0.0819(3) 0.3042(3) -0.0545(3) 0.0345(8) Uani 1 1 d .
C21 C 0.0329(3) 0.2278(3) -0.1731(3) 0.0401(8) Uani 1 1 d .
C22 C -0.0163(4) 0.1048(3) -0.1945(4) 0.0634(12) Uani 1 1 d .
H22A H 0.0208 0.0825 -0.1177 0.095 Uiso 1 1 calc GR
H22B H 0.0086 0.0551 -0.2569 0.095 Uiso 1 1 calc GR
H22C H -0.1105 0.0969 -0.2229 0.095 Uiso 1 1 calc GR
C23 C 0.0300(3) 0.2664(3) -0.2718(3) 0.0437(9) Uani 1 1 d .
H23 H -0.0038 0.2146 -0.3515 0.052 Uiso 1 1 calc R
C24 C 0.0744(3) 0.3773(3) -0.2586(3) 0.0377(8) Uani 1 1 d .
C25 C 0.0662(4) 0.4182(3) -0.3684(3) 0.0541(10) Uani 1 1 d .
H25A H 0.0800 0.5022 -0.3449 0.081 Uiso 1 1 calc GR
H25B H -0.0192 0.3918 -0.4342 0.081 Uiso 1 1 calc GR
H25C H 0.1324 0.3872 -0.3972 0.081 Uiso 1 1 calc GR
C26 C 0.1256(3) 0.4512(3) -0.1409(3) 0.0326(7) Uani 1 1 d .
H26 H 0.1587 0.5273 -0.1303 0.039 Uiso 1 1 calc R
C27 C 0.1303(3) 0.4181(3) -0.0383(3) 0.0303(7) Uani 1 1 d .
C28 C 0.1844(3) 0.5045(3) 0.0857(3) 0.0354(8) Uani 1 1 d .
H28A H 0.2733 0.4918 0.1306 0.053 Uiso 1 1 calc GR
H28B H 0.1320 0.4957 0.1321 0.053 Uiso 1 1 calc GR
H28C H 0.1832 0.5820 0.0748 0.053 Uiso 1 1 calc GR
C29 C 0.2058(3) 0.0540(3) -0.4611(3) 0.0456(9) Uani 1 1 d .
H29A H 0.2177 0.0637 -0.5339 0.068 Uiso 1 1 calc GR
H29B H 0.1221 0.0771 -0.4632 0.068 Uiso 1 1 calc GR
H29C H 0.2089 -0.0267 -0.4603 0.068 Uiso 1 1 calc GR
C30 C 0.3116(3) 0.1273(3) -0.3472(3) 0.0386(8) Uani 1 1 d .
H30A H 0.3955 0.1023 -0.3453 0.046 Uiso 1 1 calc R
H30B H 0.3116 0.2078 -0.3518 0.046 Uiso 1 1 calc R
C31 C 0.3166(3) 0.0135(3) -0.2115(3) 0.0426(9) Uani 1 1 d .
H31A H 0.3959 -0.0132 -0.2207 0.051 Uiso 1 1 calc R
H31B H 0.2425 -0.0429 -0.2709 0.051 Uiso 1 1 calc R
C32 C 0.3267(3) 0.0233(3) -0.0837(3) 0.0436(9) Uani 1 1 d .
H32A H 0.2485 0.0507 -0.0748 0.065 Uiso 1 1 calc GR
H32B H 0.4017 0.0775 -0.0251 0.065 Uiso 1 1 calc GR
H32C H 0.3365 -0.0521 -0.0673 0.065 Uiso 1 1 calc GR
Co1 Co 0.57092(4) 0.33734(3) 0.15081(4) 0.02318(13) Uani 1 1 d .
N1 N 0.3088(2) 0.2798(2) 0.1406(2) 0.0278(6) Uani 1 1 d .
Na1 Na 0.33139(10) 0.29544(9) -0.09346(10) 0.0289(3) Uani 1 1 d .
O1 O 0.29964(19) 0.12286(16) -0.23521(19) 0.0318(5) Uani 1 1 d .
O2 O 0.7610(2) 0.28002(19) 0.3638(2) 0.0426(6) Uani 1 1 d .
O3 O 0.5997(2) 0.58368(18) 0.1828(2) 0.0362(5) Uani 1 1 d .
O4 O 0.6296(2) 0.22786(18) -0.0616(2) 0.0377(5) Uani 1 1 d .
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'
Na Na 0.0362 0.0249 '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'
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
Co1 C1 Na1 84.04(10) . .
N1 C1 Co1 175.0(2) . .
N1 C1 Na1 92.9(2) . .
O2 C2 Co1 178.8(3) . .
Co1 C3 Na1 78.96(10) . .
O4 C3 Co1 176.7(3) . .
O4 C3 Na1 103.3(2) . .
O3 C4 Co1 178.5(2) . .
C10 C5 C6 123.1(3) . .
C10 C5 N1 118.5(3) . .
N1 C5 C6 118.4(3) . .
C5 C6 C11 120.2(3) . .
C7 C6 C5 117.3(3) . .
C7 C6 C11 122.5(3) . .
C6 C7 H7 119.7 . .
C8 C7 C6 120.6(3) . .
C8 C7 H7 119.7 . .
C7 C8 H8 119.5 . .
C7 C8 C9 121.0(3) . .
C9 C8 H8 119.5 . .
C8 C9 H9 119.7 . .
C8 C9 C10 120.5(3) . .
C10 C9 H9 119.7 . .
C5 C10 C9 117.4(3) . .
C5 C10 C20 121.9(2) . .
C9 C10 C20 120.7(3) . .
C12 C11 C6 120.1(3) . .
C18 C11 C6 119.5(3) . .
C18 C11 C12 120.3(3) . .
C11 C12 C13 121.7(3) . .
C14 C12 C11 118.4(3) . .
C14 C12 C13 119.9(3) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14 118.7 . .
C15 C14 C12 122.6(3) . .
C15 C14 H14 118.7 . .
C14 C15 C16 121.3(3) . .
C14 C15 C17 117.4(3) . .
C17 C15 C16 121.2(3) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17 118.9 . .
C18 C17 C15 122.2(4) . .
C18 C17 H17 118.9 . .
C11 C18 C19 120.9(4) . .
C17 C18 C11 119.1(3) . .
C17 C18 C19 120.0(4) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C10 C20 Na1 117.50(18) . .
C21 C20 C10 121.4(3) . .
C21 C20 C27 119.3(3) . .
C21 C20 Na1 82.66(18) . .
C27 C20 C10 119.2(3) . .
C27 C20 Na1 72.29(15) . .
C20 C21 C22 121.3(3) . .
C23 C21 C20 119.3(3) . .
C23 C21 C22 119.5(3) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23 118.8 . .
C24 C23 C21 122.4(3) . .
C24 C23 H23 118.8 . .
C23 C24 C25 121.3(3) . .
C23 C24 C26 117.9(3) . .
C26 C24 C25 120.8(3) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26 118.8 . .
C24 C26 Na1 84.94(18) . .
C27 C26 C24 122.5(3) . .
C27 C26 H26 118.8 . .
C27 C26 Na1 73.79(16) . .
Na1 C26 H26 112.4 . .
C20 C27 C28 122.3(3) . .
C20 C27 Na1 80.19(16) . .
C26 C27 C20 118.6(3) . .
C26 C27 C28 119.1(3) . .
C26 C27 Na1 79.04(17) . .
C28 C27 Na1 111.47(18) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C30 C29 H29A 109.5 . .
C30 C29 H29B 109.5 . .
C30 C29 H29C 109.5 . .
C29 C30 H30A 108.8 . .
C29 C30 H30B 108.8 . .
H30A C30 H30B 107.7 . .
O1 C30 C29 113.8(3) . .
O1 C30 H30A 108.8 . .
O1 C30 H30B 108.8 . .
H31A C31 H31B 108.3 . .
C32 C31 H31A 109.9 . .
C32 C31 H31B 109.9 . .
O1 C31 H31A 109.9 . .
O1 C31 H31B 109.9 . .
O1 C31 C32 109.0(3) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C1 Co1 Na1 60.50(9) . .
C2 Co1 C1 106.47(13) . .
C2 Co1 Na1 156.41(10) . .
C3 Co1 C1 116.60(12) . .
C3 Co1 C2 107.71(13) . .
C3 Co1 Na1 67.06(9) . .
C4 Co1 C1 107.01(12) . .
C4 Co1 C2 110.38(14) . .
C4 Co1 C3 108.62(13) . .
C4 Co1 Na1 92.78(10) . .
C1 N1 C5 172.4(3) . .
C1 N1 Na1 64.27(17) . .
C5 N1 Na1 123.05(19) . .
C1 Na1 C3 65.37(9) . .
C1 Na1 C20 78.52(9) . .
C1 Na1 C26 107.26(9) . .
C1 Na1 C27 82.10(9) . .
C1 Na1 Co1 35.46(6) . .
C1 Na1 N1 22.84(7) . .
C3 Na1 C20 143.53(10) . .
C3 Na1 C26 148.53(9) . .
C3 Na1 C27 140.78(10) . .
C3 Na1 Co1 33.98(6) . .
C3 Na1 N1 87.24(8) . .
C20 Na1 Co1 112.51(7) . .
C26 Na1 C20 47.34(8) . .
C26 Na1 Co1 124.23(7) . .
C26 Na1 N1 92.21(8) . .
C27 Na1 C20 27.52(8) . .
C27 Na1 C26 27.17(8) . .
C27 Na1 Co1 107.45(7) . .
C27 Na1 N1 65.18(8) . .
N1 Na1 C20 56.31(8) . .
N1 Na1 Co1 58.27(5) . .
O1 Na1 C1 118.25(9) . .
O1 Na1 C3 90.10(8) . .
O1 Na1 C20 103.17(9) . .
O1 Na1 C26 118.34(9) . .
O1 Na1 C27 125.82(9) . .
O1 Na1 Co1 116.95(7) . .
O1 Na1 N1 114.46(8) . .
O1 Na1 O3 101.07(8) . 2_665
O3 Na1 C1 129.19(9) 2_665 .
O3 Na1 C3 84.96(8) 2_665 .
O3 Na1 C20 124.24(9) 2_665 .
O3 Na1 C26 76.95(8) 2_665 .
O3 Na1 C27 100.71(9) 2_665 .
O3 Na1 Co1 99.33(7) 2_665 .
O3 Na1 N1 143.60(8) 2_665 .
C30 O1 Na1 115.81(17) . .
C31 O1 C30 113.2(2) . .
C31 O1 Na1 126.74(18) . .
C4 O3 Na1 136.88(19) . 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 Co1 1.809(3) .
C1 N1 1.170(3) .
C1 Na1 2.714(3) .
C2 Co1 1.768(3) .
C2 O2 1.161(4) .
C3 Co1 1.766(3) .
C3 Na1 2.910(3) .
C3 O4 1.154(3) .
C4 Co1 1.740(3) .
C4 O3 1.172(3) .
C5 C6 1.396(4) .
C5 C10 1.392(4) .
C5 N1 1.395(3) .
C6 C7 1.395(4) .
C6 C11 1.493(5) .
C7 H7 0.9500 .
C7 C8 1.375(5) .
C8 H8 0.9500 .
C8 C9 1.381(5) .
C9 H9 0.9500 .
C9 C10 1.393(4) .
C10 C20 1.486(4) .
C11 C12 1.403(4) .
C11 C18 1.398(5) .
C12 C13 1.502(5) .
C12 C14 1.390(5) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14 0.9500 .
C14 C15 1.385(5) .
C15 C16 1.500(5) .
C15 C17 1.396(4) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17 0.9500 .
C17 C18 1.381(5) .
C18 C19 1.515(4) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.409(5) .
C20 C27 1.416(4) .
C20 Na1 3.020(3) .
C21 C22 1.510(4) .
C21 C23 1.383(5) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23 0.9500 .
C23 C24 1.378(4) .
C24 C25 1.510(5) .
C24 C26 1.389(4) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26 0.9500 .
C26 C27 1.389(4) .
C26 Na1 2.985(3) .
C27 C28 1.507(4) .
C27 Na1 2.920(3) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C29 C30 1.505(4) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C30 O1 1.436(4) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C31 C32 1.494(5) .
C31 O1 1.424(3) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
Co1 Na1 3.1016(13) .
N1 Na1 3.009(3) .
Na1 O1 2.287(2) .
Na1 O3 2.307(2) 2_665
O3 Na1 2.307(2) 2_665
