<i>trans</i>-Tetraaquabis(<i>p</i>-nitrohippurato)cobalt(II) dihydrate
Saladini, Monica; Acta Crystallographica Section C 50 (1994) 1561–1563; doi:10.1107/S0108270194001769

data_2010116
_publ_contact_author
;
     Professor Monica Saladini
     Dip. di Chimica Universit\'a di Modena
     Via Campi 183
     41100 Modena
     Italy
;
_publ_section_title
;
 <i>trans</i>-Tetraaquabis(<i>p</i>-nitrohippurato)cobalt(II) dihydrate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1561
_journal_page_last               1563
_journal_paper_doi               10.1107/S0108270194001769
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C18 H26 Co N4 O16'
_chemical_formula_weight         613.3
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_atom_type_scat_source           'IntTabIV '
_cell_angle_alpha                90.
_cell_angle_beta                 109.540(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   13.1130(10)
_cell_length_b                   5.351(2)
_cell_length_c                   18.757(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      5.5
_cell_volume                     1240.3(5)
_computing_cell_refinement       'CAD4 software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD4 software (Enraf-Nonius, 1989)'
_computing_data_reduction        'CAD4 software (Enraf-Nonius, 1989)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_publication_material  'PARST (Nardelli, 1983)'
_computing_structure_refinement  'SHELX76 (Sheldrick 1976)'
_computing_structure_solution    'SHELX76 (Sheldrick 1976)'
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       '\w/2\q scan'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2531
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        10
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.77
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.96
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.64
_exptl_crystal_density_meas      1.60
_exptl_crystal_description       'irregular prisms'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.37
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_number_parameters     178
_refine_ls_number_reflns         1363
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.041
_reflns_number_observed          1363
_reflns_number_total             2439
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            mu1099.cif
_cod_data_source_block           mu1099
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-17

 Added _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-09
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C18 H26 Co1 N4 O16 '
_cod_database_code               2010116