Chloro[(1-methyl-2-imidazolyl-κ<i>N</i>^3^-methyl)-bis(2-pyridyl-κ<i>N</i>-methyl)amine-κ<i>N</i>]copper(II) Hexafluorophosphate, [CuCl(C~17~H~19~N~5~)]PF~6~
Wang, J.; Mashuta, M.S.; Richardson, J.F.; Buchanan, R.M.; Acta Crystallographica Section C 51 (1995) 50–52; doi:10.1107/S010827019400644X

data_2010372
_publ_section_title
;Chloro[(1-methyl-2-imidazolyl-\k<i>N</i>^3^-methyl)-bis(2-pyridyl-\k<i>N</i>-methyl)amine-\k<i>N</i>]copper(II)
 Hexafluorophosphate, [CuCl(C~17~H~19~N~5~)]PF~6~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              50
_journal_page_last               52
_journal_paper_doi               10.1107/S010827019400644X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C17 H19 Cl Cu F6 N5 P'
_chemical_formula_weight         537.33
_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'
_atom_type_scat_source           'Enraf-Nonius MolEN Software (Fair, 1982)'
_cell_angle_alpha                90
_cell_angle_beta                 108.84(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.235(3)
_cell_length_b                   11.368(3)
_cell_length_c                   13.860(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      16
_cell_measurement_theta_min      12
_cell_volume                     2122.7(9)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4115
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.9
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.297
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Pale blue'
_exptl_crystal_density_diffrn    1.68
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.68(7)
_refine_diff_density_min         -0.71(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.06
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     288
_refine_ls_number_reflns         3114
_refine_ls_R_factor_obs          0.045
_refine_ls_shift/esd_max         0.06
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w=1/[\s^2^(F) + 0.01F^2^ + 1.0]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.048
_reflns_number_observed          3114
_reflns_number_total             3946
_reflns_observed_criterion       I>3.0\s(I)
_cod_data_source_file            hr1018.cif
_cod_data_source_block           hr1018_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/[\s^2^(F) + 0.01F^2^ + 1.0]'
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) +
0.01F^2^ + 1.0]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2122.6
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C17 H19 Cl1 Cu1 F6 N5 P1'
_cod_database_code               2010372