Monoclinic Form of [Cu(C~10~H~24~N~4~)]CuCl~4~
Wang, Z.; Willett, R. D.; Molnar, S.; Brewer, K. J.; Acta Crystallographica Section C 52 (1996) 581–583; doi:10.1107/S0108270195012091

data_2004593
_publ_section_title
;
 Monoclinic Form of [Cu(C~10~H~24~N~4~)]CuCl~4~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              581
_journal_page_last               583
_journal_paper_doi               10.1107/S0108270195012091
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Cu (C10 H24 N4)] Cu Cl4'
_chemical_formula_sum            'C10 H24 Cl4 Cu2 N4'
_chemical_formula_weight         469.2
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 124.31(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.658(5)
_cell_length_b                   8.352(3)
_cell_length_c                   16.746(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    22
_cell_measurement_theta_max      15
_cell_measurement_theta_min      14
_cell_volume                     1808.9(11)
_diffrn_measurement_device       'Syntex P2~1~ upgraded to Nicolet R3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            1335
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 96
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.937
_exptl_absorpt_correction_T_max  0.675
_exptl_absorpt_correction_T_min  0.431
_exptl_absorpt_correction_type   '\y scan, SHELXTL-Plus (Sheldrick, 1991)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_description       needles
_exptl_crystal_size_max          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.64
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.75
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     93
_refine_ls_number_reflns         1045
_refine_ls_R_factor_obs          0.0376
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0047F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0565
_reflns_number_observed          1045
_reflns_number_total             1178
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            cr1200.cif
_cod_data_source_block           cr1200a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 1/[\s^2^(F)+0.0047F^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)+0.0047F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1809.0(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2004593