[<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-<i>N</i>'-(2-aminoethylidene)ethane-1,2-diamine]chlorocobalt(III) Perchlorate
Giannos, M.; Fallon, G.D.; Spiccia, L.; Acta Crystallographica Section C 51 (1995) 48–50; doi:10.1107/S0108270194006189

data_2010398
_publ_section_title
;[<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-<i>N</i>'-(2-aminoethylidene)ethane-1,2-diamine]chlorocobalt(III)
 Perchlorate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              48
_journal_page_last               50
_journal_paper_doi               10.1107/S0108270194006189
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C8 H21 Cl3 Co N5 O8'
_chemical_formula_weight         480.6
_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                 98.780(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.615(3)
_cell_length_b                   11.408(2)
_cell_length_c                   11.990(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      18
_cell_measurement_theta_min      10
_cell_volume                     1705.3(7)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5408
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  240
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.53
_exptl_absorpt_correction_T_max  0.767
_exptl_absorpt_correction_T_min  0.694
_exptl_absorpt_correction_type   'analytical (SHELX; Sheldrick, 1976)'
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.87
_exptl_crystal_density_meas      1.880(10)
_exptl_crystal_density_method    'flotation in CCl~4~/C~2~H~2~Br~4~'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.67
_refine_ls_goodness_of_fit_obs   1.652
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3104
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.038
_reflns_number_observed          3104
_reflns_number_total             4965
_reflns_observed_criterion       |F~o~|>=6\s(|F~o~|)
_cod_data_source_file            oh1069.cif
_cod_data_source_block           oh1069a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F~o~)' 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~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1705.2(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010398