(1,4,7,10,13-Pentamethyl-1,4,7,10,13-pentaazacyclopentadecane-κ^5^<i>N</i>)cobalt(II) perchlorate
Feng Zhang; Jian-Rong Zhang; Dao-Li Deng; Ronald Hage; Acta Crystallographica Section E 59 (2003) m1099–m1101; doi:10.1107/S1600536803025030

data_2202441
_publ_section_title
;(1,4,7,10,13-Pentamethyl-1,4,7,10,13-pentaazacyclopentadecane-\k^5^<i>N</i>)cobalt(II)
 perchlorate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1099
_journal_page_last               m1101
_journal_paper_doi               10.1107/S1600536803025030
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Co (C15 H35 N5)] (Cl O4)2'
_chemical_formula_moiety         'C15 H35 Co N5 2+, 2Cl O4 1-'
_chemical_formula_sum            'C15 H35 Cl2 Co N5 O8'
_chemical_formula_weight         543.31
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 98.47(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   9.451(2)
_cell_length_b                   15.294(4)
_cell_length_c                   17.049(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      21.09
_cell_measurement_theta_min      13.67
_cell_volume                     2437.4(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1989)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1989)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       'Rigaku AFC-7R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4450
_diffrn_reflns_theta_max         24.9895
_diffrn_reflns_theta_min         6.0
_diffrn_standards_decay_%        2.9
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.9711
_exptl_absorpt_correction_T_max  0.82
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
'(TEXSAN; Molecular Structure Corporation, 1989)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1140.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.69500
_refine_diff_density_min         -0.36570
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.750
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         2297
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.0050
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0610
_reflns_number_gt                2297
_reflns_number_total             4165
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cf6283.cif
_cod_data_source_block           I
_cod_original_cell_volume        2437.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2202441
_cod_database_fobs_code          2202441