Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)
Brammer, L.; Zhao, D.; Acta Crystallographica Section C 51 (1995) 45–48; doi:10.1107/S0108270194005858

data_2010390
_publ_section_title
;
 Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py =
 Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen =
 <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              45
_journal_page_last               48
_journal_paper_doi               10.1107/S0108270194005858
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C14 H11 Co1 N2 O4'
_chemical_formula_sum            'C14 H11 Co N2 O4'
_chemical_formula_weight         330.2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 93.22(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.079(3)
_cell_length_b                   14.290(4)
_cell_length_c                   14.828(5)
_cell_measurement_reflns_used    35
_cell_measurement_temperature    128(5)
_cell_measurement_theta_max      17.26
_cell_measurement_theta_min      12.68
_cell_volume                     1497.6(9)
_diffrn_measurement_device       'Siemens R3mIV'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            3247
_diffrn_reflns_theta_max         30.0
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.161
_exptl_absorpt_correction_T_max  0.524
_exptl_absorpt_correction_T_min  0.406
_exptl_absorpt_correction_type   'empirical, \y-scans'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_description       plate-like
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.42
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     234
_refine_ls_number_reflns         2236
_refine_ls_R_factor_obs          0.0417
_refine_ls_shift/esd_max         0.018
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0003F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0440
_reflns_number_observed          2236
_reflns_number_total             2890
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            mu1106.cif
_cod_data_source_block           mu1106_structure_1_of_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0003F^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.0003F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1497.7(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C14 H11 Co1 N2 O4'
_cod_database_code               2010390