Crystal structure of bis(nitrito-N)(1,10-phenanthroline-N,N') (2,4- pentanedionato-O,O')cobalt(III), Co(NO~2~)~2~(C~12~H~8~N~2~)(C~5~H~7~O~2~)
Y.-L. Feng; H. Lin; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 199–200; doi:

data_8101743
_publ_section_title
;
Crystal structure of bis(nitrito-N)(1,10-phenanthroline-N,N') (2,4-
pentanedionato-O,O')cobalt(III), Co(NO~2~)~2~(C~12~H~8~N~2~)(C~5~H~7~O~2~)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              199
_journal_page_last               200
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'C17 H15 Co N4 O6'
_chemical_formula_weight         430.26
_chemical_name_systematic
; 
bis(nitrito-N)(1,10-phenanthroline-N,N')(2,4-pentanedionato-O,O')cobalt(III)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.68(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.017(3)
_cell_length_b                   15.107(3)
_cell_length_c                   10.015(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1993.3(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       omega/phi
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2036
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.901
_exptl_absorpt_correction_T_max  0.8404
_exptl_absorpt_correction_T_min  0.7739
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.873
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     128
_refine_ls_number_reflns         1378
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1337P)^2^+1.2102P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1738
_refine_ls_wR_factor_ref         0.1881
_reflns_number_gt                1053
_reflns_number_total             1378
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1484.cff
_cod_data_source_block           d
_cod_original_cell_volume        1993.3(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               8101743