Bis[<i>N</i>-(isopropylidene)propane-1,3-diamine-κ^2^<i>N</i>](perchlorato-κ<i>O</i>)copper(II) perchlorate
Neil F. Curtis; Ward T. Robinson; Acta Crystallographica Section E 62 (2006) m3588–m3590; doi:10.1107/S160053680605046X

data_2211636
_publ_section_title
;Bis[<i>N</i>-(isopropylidene)propane-1,3-diamine-\k^2^<i>N</i>](perchlorato-\k<i>O</i>)copper(II)
 perchlorate
;
_journal_coeditor_code           SJ2178
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3588
_journal_page_last               m3590
_journal_paper_doi               10.1107/S160053680605046X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu (C12 H28 N4) (Cl O4)] Cl O4'
_chemical_formula_moiety         'C12 H28 Cl Cu N4 O4, Cl O4'
_chemical_formula_sum            'C12 H28 Cl2 Cu N4 O8'
_chemical_formula_weight         490.82
_chemical_name_systematic
;
Bis[N-(isopropylidene)propane-1,3-diamine-\k^2^N](perchlorato-\kO)copper(II)
perchlorate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.241(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1939(4)
_cell_length_b                   14.8324(5)
_cell_length_c                   12.4020(4)
_cell_measurement_reflns_used    7934
_cell_measurement_temperature    106(2)
_cell_measurement_theta_max      32.58
_cell_measurement_theta_min      2.33
_cell_volume                     1995.86(12)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3.2 (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      106(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            23993
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.86
_diffrn_reflns_theta_min         2.59
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.409
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.035
_refine_diff_density_min         -0.743
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         6737
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0591P)^2^+0.52P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1088
_reflns_number_gt                5036
_reflns_number_total             6737
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2178.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2211636
_cod_database_fobs_code          2211636