[2,6-Bis(2-pyrimidinylthiomethyl)pyridine]dichlorocopper(II) methanol solvate
Sillanpää, R.; Kivekäs, R.; Escriche, L.; Casabó, J.; Sánchez-Castelló, G.; Acta Crystallographica Section C 50 (1994) 1062–1064; doi:10.1107/S0108270193013629

data_2009823
_publ_section_title
;
 [2,6-Bis(2-pyrimidinylthiomethyl)pyridine]dichlorocopper(II) methanol
 solvate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1062
_journal_page_last               1064
_journal_paper_doi               10.1107/S0108270193013629
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C15 H13 Cl2 Cu1 N5 S2,C1 H4 O1'
_chemical_formula_sum            'C16 H17 Cl2 Cu N5 O S2'
_chemical_formula_weight         493.92
_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                 92.72(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.561(3)
_cell_length_b                   14.107(4)
_cell_length_c                   16.582(5)
_cell_measurement_reflns_used    17
_cell_measurement_temperature    296
_cell_measurement_theta_max      13
_cell_measurement_theta_min      4.5
_cell_volume                     2000.4(11)
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.062
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            3945
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        -2.1
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.58
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.56
_refine_ls_goodness_of_fit_obs   1.31
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     244
_refine_ls_number_reflns         1716
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.056
_reflns_number_observed          1716
_reflns_number_total             3686
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ab1101.cif
_cod_data_source_block           ab1101_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2000.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C16 H17 Cl2 Cu1 N5 O1 S2'
_cod_database_code               2009823