μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis{[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethylene)propane-1,2-diamine-κ^4^-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II)} bis(perchlorate)
Tian-Fu Liu; Acta Crystallographica Section E 63 (2007) m1856–m1858; doi:10.1107/S1600536807022659

data_2214109
_publ_section_title
;\m-Oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis{[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethylene)propane-1,2-diamine-\k^4^-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II)}
 bis(perchlorate)
;
_journal_coeditor_code           CF2095
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1856
_journal_page_last               m1858
_journal_paper_doi               10.1107/S1600536807022659
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu2 (C2 O4) (C15 H16 N4)2] (Cl O4)2'
_chemical_formula_moiety         'C32 H32 Cu2 N8 O4 +, 2(Cl O4 -)'
_chemical_formula_sum            'C32 H32 Cl2 Cu2 N8 O12'
_chemical_formula_weight         918.64
_chemical_name_systematic
;
\m-Oxalato-\k^4^O^1^,O^2^:O^1'^,O^2'^-bis{[N,N'-bis(pyridin-2-
ylmethylene)propane-1,2-diamine-\k^4^-
N,N',N'',N''']copper(II)} bis(perchlorate)
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 97.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.339(2)
_cell_length_b                   9.2995(19)
_cell_length_c                   19.395(4)
_cell_measurement_reflns_used    16951
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.12
_cell_volume                     2026.3(7)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection
'PROCESS-AUTO (Molecular Structure Corporation, 1994)'
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'XP (Siemens, 1990)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16951
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.12
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.249
_exptl_absorpt_correction_T_max  0.829
_exptl_absorpt_correction_T_min  0.694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.637
_refine_diff_density_min         -0.451
_refine_ls_extinction_coef       0.0062(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   0.859
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         4599
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.859
_refine_ls_R_factor_all          0.1081
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0777P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1331
_refine_ls_wR_factor_ref         0.1467
_reflns_number_gt                2290
_reflns_number_total             4599
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf2095.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2214109
_cod_database_fobs_code          2214109