Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(ethanol-<i>O</i>)nitrocobalt(III), [Co(Hdmg)~2~(NO~2~)(EtOH)]
Hu, Chunhua; Englert, Ulli; Acta Crystallographica Section E 57 (2001) m222–m223; doi:10.1107/S1600536801007383

data_2200316
_publ_section_title
;Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(ethanol-<i>O</i>)nitrocobalt(III),
 [Co(Hdmg)~2~(NO~2~)(EtOH)]
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m222
_journal_page_last               m223
_journal_paper_doi               10.1107/S1600536801007383
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Co (N O2) (C2 H6 O) (C4 H7 N2 O2)2]'
_chemical_formula_moiety         'C10 H20 Co N5 O7'
_chemical_formula_sum            'C10 H20 Co N5 O7'
_chemical_formula_weight         381.24
_chemical_name_systematic
;
Bis(dimethylglyoximato-N,N')(ethanol-O)nitrocobalt(III)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9591(5)
_cell_length_b                   16.6140(10)
_cell_length_c                   10.7359(6)
_cell_measurement_reflns_used    14412
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.26
_cell_volume                     1597.19(16)
_computing_cell_refinement       SMART)
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .997
_diffrn_measured_fraction_theta_max .997
_diffrn_measurement_device_type  'CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0330
_diffrn_reflns_av_sigmaI/netI    .0380
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14412
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.118
_exptl_absorpt_correction_T_max  .818
_exptl_absorpt_correction_T_min  .694
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          .48
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .18
_refine_diff_density_max         .466
_refine_diff_density_min         -.277
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3973
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          .0559
_refine_ls_R_factor_gt           .0426
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0578P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1080
_reflns_number_gt                3166
_reflns_number_total             3973
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            na6074.cif
_cod_data_source_block           I
_cod_original_cell_volume        1597.18(16)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2200316
_cod_database_fobs_code          2200316