Bis[<i>N</i>-(2-furylmethyl)ethane-1,2-diamine]bis(perchlorato)copper(II)
Xiao, Wei; Li, Shi-Rong; Zhou, Hong; Pan, Zhi-Quan; Huang, Qimao; Acta Crystallographica Section E 67 (2011) m701–; doi:10.1107/S1600536811012232

data_2230435
_publ_section_title
;
 Bis[<i>N</i>-(2-furylmethyl)ethane-1,2-diamine]bis(perchlorato)copper(II)
;
_journal_coeditor_code           NK2094
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m701
_journal_paper_doi               10.1107/S1600536811012232
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (Cl O4)2 (C7 H12 N2 O)2]'
_chemical_formula_moiety         'C14 H24 Cl2 Cu N4 O10'
_chemical_formula_sum            'C14 H24 Cl2 Cu N4 O10'
_chemical_formula_weight         542.81
_chemical_name_systematic
;
Bis[<i>N</i>-(2-furylmethyl)ethane-1,2-diamine]bis(perchlorato)copper
(II)
;
_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                 94.227(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.736(8)
_cell_length_b                   11.899(9)
_cell_length_c                   9.466(7)
_cell_measurement_reflns_used    1812
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      22.61
_cell_measurement_theta_min      2.70
_cell_volume                     1093.6(15)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5510
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.71
_exptl_absorpt_coefficient_mu    1.301
_exptl_absorpt_correction_T_max  0.7628
_exptl_absorpt_correction_T_min  0.7121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             558
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.257
_refine_diff_density_min         -0.698
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1914
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.05P)^2^+1.33P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1095
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                1589
_reflns_number_total             1914
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nk2094.cif
_cod_data_source_block           I
_cod_original_cell_volume        1093.6(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2230435
_cod_database_fobs_code          2230435