Bis(acetone-κ<i>O</i>)bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate
Akitsu, Takashiro; Einaga, Yasuaki; Acta Crystallographica Section C 60 (2004) m162–m164; doi:10.1107/S010827010400349X

data_2014043
_publ_section_title
;Bis(acetone-\k<i>O</i>)bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-\k^2^<i>N</i>,<i>N</i>')copper(II)
 diperchlorate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m162
_journal_page_last               m164
_journal_paper_doi               10.1107/S010827010400349X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu (C4 H12 N2)2 (C3 H6 O)6] (Cl O4)2'
_chemical_formula_moiety         'C14 H36 Cu N4 O2 2+, 2Cl O4 1-'
_chemical_formula_sum            'C14 H36 Cl2 Cu N4 O10'
_chemical_formula_weight         554.92
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.145(5)
_cell_length_b                   13.333(4)
_cell_length_c                   14.332(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297.2
_cell_measurement_theta_max      12.3
_cell_measurement_theta_min      11.1
_cell_volume                     2511.9(14)
_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_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.008
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1525
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        87.23
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.134
_exptl_absorpt_correction_T_max  0.719
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   ' (North, et al., 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1164.0
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     83
_refine_ls_number_reflns         747
_refine_ls_R_factor_gt           0.0554
_refine_ls_shift/su_max          0.0100
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1P)^2^ where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1799
_reflns_number_gt                747
_reflns_number_total             1449
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob1168.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-C 2b 2bc'
_cod_original_sg_symbol_H-M      'C c c a'
_cod_database_code               2014043
_cod_database_fobs_code          2014043