A redetermination of bis(<i>N</i>-methylethylenediamine-κ^2^<i>N,N</i>')bis(perchlorato-κ<i>O</i>)copper(II)
Akitsu, Takashiro; Einaga, Yasuaki; Acta Crystallographica Section E 59 (2003) m991–m993; doi:10.1107/S160053680302213X

data_2202828
_publ_section_title
;A redetermination of
 bis(<i>N</i>-methylethylenediamine-\k^2^<i>N,N</i>')bis(perchlorato-\k<i>O</i>)copper(II)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m991
_journal_page_last               m993
_journal_paper_doi               10.1107/S160053680302213X
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Cu (Cl O4)2 (C3 H10 N2)2]'
_chemical_formula_moiety         'C6 H20 Cl2 Cu N4 O8'
_chemical_formula_sum            'C6 H20 Cl2 Cu N4 O8'
_chemical_formula_weight         410.71
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.96(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.436(3)
_cell_length_b                   11.857(4)
_cell_length_c                   8.352(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      10.1
_cell_volume                     763.4(5)
_computing_cell_refinement       'WinAFC Diffractometer Control Software'
_computing_data_collection
'WinAFC Diffractometer Control Software (Rigaku, 1999)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 2001)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.008
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2072
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        0.15
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.822
_exptl_absorpt_correction_T_max  0.579
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             422.0
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.29
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     98
_refine_ls_number_reflns         1538
_refine_ls_R_factor_gt           0.0241
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0348P)^2^+0.3309P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0676
_reflns_number_gt                1538
_reflns_number_total             1749
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob6313.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2202828