Structure of <i>meso</i>-chloro(1,4,7,11,14-pentaazacycloheptadecane)cobalt(III) chloride perchlorate
Tahirov, T. H.; Lu, T.-H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S.; Acta Crystallographica Section C 49 (1993) 1910–1912; doi:10.1107/S0108270193004159

data_2001206
_publ_section_title
;
 Structure of
 <i>meso</i>-chloro(1,4,7,11,14-pentaazacycloheptadecane)cobalt(III)
 chloride perchlorate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1910
_journal_page_last               1912
_journal_paper_doi               10.1107/S0108270193004159
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C12 H29 Cl1 Co1 N5,Cl,Cl1 O4'
_chemical_formula_sum            'C12 H29 Cl3 Co N5 O4'
_chemical_formula_weight         472.687
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 110.91(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.532(2)
_cell_length_b                   13.000(2)
_cell_length_c                   12.686(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(3)
_cell_measurement_theta_max      19.53
_cell_measurement_theta_min      8.08
_cell_volume                     1930.6(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7093
_diffrn_reflns_av_R_equivalents  0.01
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5851
_diffrn_reflns_theta_max         29.9
_diffrn_standards_decay_%        +-0.8
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.33
_exptl_absorpt_correction_T_max  0.74107
_exptl_absorpt_correction_T_min  0.73876
_exptl_absorpt_correction_type   'empirical based on \y scan'
_exptl_crystal_colour            'Deep red brown'
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_description       Parallelepiped
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.58
_refine_ls_extinction_coef       'secondary, 0.03(1)'
_refine_ls_extinction_method     'Zachariasen (1968)'
_refine_ls_goodness_of_fit_obs   0.99
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     256
_refine_ls_number_reflns         4132
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.217
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.037
_reflns_number_observed          4132
_reflns_number_total             5621
_reflns_observed_criterion       I>=2.5\s(I)
_cod_data_source_file            as1028.cif
_cod_data_source_block           as1028_structure_1_of_1
_cod_original_cell_volume        1930.7(7)
_cod_original_formula_sum        'C12 H29 Cl3 Co1 N5 O4'
_cod_database_code               2001206