2,2'-Iminodipyridinium Tetrachlorocuprate(II)
Willett, R. D.; Acta Crystallographica Section C 51 (1995) 1517–1519; doi:10.1107/S0108270195002149

data_2003763
_publ_section_title
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 2,2'-Iminodipyridinium Tetrachlorocuprate(II)
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_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1517
_journal_page_last               1519
_journal_paper_doi               10.1107/S0108270195002149
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C10 H11 Cl4 Cu1 N3'
_chemical_formula_sum            'C10 H11 Cl4 Cu N3'
_chemical_formula_weight         378.6
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                108.21(2)
_cell_angle_beta                 95.13(2)
_cell_angle_gamma                109.79(2)
_cell_formula_units_Z            2
_cell_length_a                   7.786(2)
_cell_length_b                   8.984(3)
_cell_length_c                   11.696(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      90
_cell_measurement_theta_min      60
_cell_volume                     713.6(4)
_diffrn_measurement_device       'Nicolet P3'
_diffrn_measurement_method       \w
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1958
_diffrn_reflns_theta_max         105
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 96
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    8.93
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   empirical(psi-scan)
_exptl_crystal_colour            'brownish green'
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_description       needles
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.49
_refine_diff_density_min         -0.75
_refine_ls_extinction_coef       '\c = 0.024'
_refine_ls_extinction_method     'F*=F[1 +0.002\cF^2^/sin(2\q)]^1/4^'
_refine_ls_goodness_of_fit_obs   1.74
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     166
_refine_ls_number_reflns         1716
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0035F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.109
_reflns_number_observed          1716
_reflns_number_total             1797
_reflns_observed_criterion       |F|>3\s(F)
_cod_data_source_file            cr1092.cif
_cod_data_source_block           cr1092a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0035F^2^]'
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) +
0.0035F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_formula_sum        'C10 H11 Cl4 Cu1 N3'
_cod_database_code               2003763