Crystal structure of the inverse crown ether tetrakis[μ~2~-bis(trimethylsilyl)amido]-μ~4~-oxido-dicobalt(II)disodium, [Co~2~Na~2~{μ~2~-N(SiMe~3~)~2~}~4~](μ~4~-O)
Hansen, Christopher B.; Filatov, Alexander S.; Hillhouse, Gregory L.; Acta Crystallographica Section E 72 (2016) 780–784; doi:10.1107/S2056989016006861

data_2241677
_publ_section_title
;
 Crystal structure of the inverse crown ether
 tetrakis[\m~2~-bis(trimethylsilyl)amido]-\m~4~-oxido-dicobalt(II)disodium,
 [Co~2~Na~2~{\m~2~-N(SiMe~3~)~2~}~4~](\m~4~-O)
;
_journal_coeditor_code           WM5287
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              780
_journal_page_last               784
_journal_paper_doi               10.1107/S2056989016006861
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Co2 Na2 O (C6 H18 N1 Si2)4]'
_chemical_formula_moiety         'C24 H72 Co2 N4 Na2 O Si8'
_chemical_formula_sum            'C24 H72 Co2 N4 Na2 O Si8'
_chemical_formula_weight         821.41
_chemical_name_systematic
;
Tetrakis[\m~2~-bis(trimethylsilyl)amido]-\m~4~-oxido-dicobalt(II)disodium
;
_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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
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_cell_length_b                   10.591(2)
_cell_length_c                   12.700(3)
_cell_measurement_reflns_used    1020
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.636
_cell_measurement_theta_min      2.827
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_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
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SAINT (Bruker, 2013)
;
_computing_molecular_graphics
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Mercury (Macrae <i>et al.</i>,  2006)
;
_computing_publication_material
;
APEX3 (Bruker, 2015) and
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0892
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.485
_diffrn_reflns_theta_min         1.724
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.017
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.57
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>TWINABS</i>; Bruker,2012)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.075
_refine_diff_density_min         -0.541
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         4421
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0910
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0577P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1535
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           I
_cod_original_cell_volume        1097.4(5)
_cod_database_code               2241677
_cod_database_fobs_code          2241677
_shelx_estimated_absorpt_t_min   0.750
_shelx_estimated_absorpt_t_max   0.822
_shelx_hkl_checksum              20493
_shelx_res_checksum              34005