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_2010391
_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         'C10 H17 Co1 N2 O4'
_chemical_formula_sum            'C10 H17 Co N2 O4'
_chemical_formula_weight         288.2
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   19.528(5)
_cell_length_b                   9.518(2)
_cell_length_c                   7.408(2)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    128(5)
_cell_measurement_theta_max      14.79
_cell_measurement_theta_min      8.35
_cell_volume                     1376.9(6)
_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  0.0213
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3748
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.251
_exptl_absorpt_correction_T_max  0.503
_exptl_absorpt_correction_T_min  0.453
_exptl_absorpt_correction_type   'empirical, \y-scans'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_description       needles
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.51
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.48
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_number_parameters     99
_refine_ls_number_reflns         1231
_refine_ls_R_factor_obs          0.0452
_refine_ls_shift/esd_max         0.001
_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         0.0455
_reflns_number_observed          1231
_reflns_number_total             1691
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            mu1106.cif
_cod_data_source_block           mu1106_structure_2_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_formula_sum        'C10 H17 Co1 N2 O4'
_cod_database_code               2010391