μ-Oxalato-1κ^2^<i>O</i>,<i>O</i>':2κ^2^<i>O</i>'',<i>O</i>'''-bis(chloro{[1-(2-pyridyl-κ<i>N</i>)ethylidene]hydrazine-κ<i>N</i>}copper(II))
Stefaniya V. Tomyn; Elźbieta Gumienna-Kontecka; Igor O. Fritsky; Turganbay S. Iskenderov; Jolanta Światek-Kozłowska; Acta Crystallographica Section E 63 (2007) m438–m440; doi:10.1107/S1600536807000098

data_2212352
_publ_section_title
\m-Oxalato-1\k^2^<i>O</i>,<i>O</i>':2\k^2^<i>O</i>'',<i>O</i>'''-bis(chloro{[1-(2-pyridyl-\k<i>N</i>)ethylidene]hydrazine-\k<i>N</i>}copper(II))
_journal_coeditor_code           SA2033
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m438
_journal_page_last               m440
_journal_paper_doi               10.1107/S1600536807000098
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu2 (C2 O4) (C7 H9 N3)2 Cl2]'
_chemical_formula_moiety         'C16 H18 Cl2 Cu2 N6 O4'
_chemical_formula_sum            'C16 H18 Cl2 Cu2 N6 O4'
_chemical_formula_weight         556.34
_chemical_name_systematic
;
Dichloro(\m~4~-oxalato-1\k^2^O,O':2\k^2^O'',O''')bis{[1-(pyridin-2-
yl)ethylidene]hydrazine-\k^2^N,N'}dicopper(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.422(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.3785(6)
_cell_length_b                   9.2002(6)
_cell_length_c                   11.2501(8)
_cell_measurement_reflns_used    2479
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     954.69(11)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'KM4 CCD Software (Kuma Diffraction, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f scans, and \w scans with \k offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0741
_diffrn_reflns_av_sigmaI/netI    0.0575
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6391
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         3.42
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.547
_exptl_absorpt_correction_T_max  0.757
_exptl_absorpt_correction_T_min  0.597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.936
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.786
_refine_diff_density_min         -1.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         2241
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0369
_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^)+(0.0537P)^2^+0.2578P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.0986
_reflns_number_gt                1988
_reflns_number_total             2241
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sa2033.cif
_cod_data_source_block           I
_cod_original_cell_volume        954.60(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2212352
_cod_database_fobs_code          2212352