Crystal structure of tetra(2-aminopyrimidine)di-methanolato-dicobalt (II) diperchlorate, [Co~2~(CH~3~O)~2~(C~4~H~5~N~3~)~4~][ClO~4~]~2~
Xu, S.-P.; Liu, C.-H.; Zhu, Y.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 401–402; doi:

data_8102029
_publ_section_title
;
Crystal structure of tetra(2-aminopyrimidine)di-methanolato-dicobalt
(II) diperchlorate, [Co~2~(CH~3~O)~2~(C~4~H~5~N~3~)~4~][ClO~4~]~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              401
_journal_page_last               402
_journal_volume                  221
_journal_year                    2006
_chemical_formula_moiety         '(C18H26CoN6O2), 2(ClO4)'
_chemical_formula_structural     '[Co2(CH3O)2(C4H5N3)4][ClO4]2'
_chemical_formula_sum            'C18 H26 Cl2 Co2 N12 O10'
_chemical_formula_weight         759.26
_chemical_name_systematic
; 
tetra(2-aminopyrimidine)dimethanolato-dicobalt(II) diperchlorate 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 132.400(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.466(5)
_cell_length_b                   14.969(5)
_cell_length_c                   12.003(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2184.7(13)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       phi/omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4544
_diffrn_reflns_theta_full        26.54
_diffrn_reflns_theta_max         26.54
_diffrn_reflns_theta_min         3.35
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_T_max  0.782
_exptl_absorpt_correction_T_min  0.722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS [8]'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.516
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       0.010(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         2359
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1200P)^2^+0.2251P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1756
_refine_ls_wR_factor_ref         0.1876
_reflns_number_gt                1864
_reflns_number_total             2359
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1847.cff
_cod_data_source_block           co6
_cod_original_cell_volume        2184.7(12)
_cod_original_sg_symbol_H-M      C12/m1
_cod_database_code               8102029