Dichloro(<i>O</i>-ethyl 3-methylpyridine-2-carboximidic acid-κ^2^<i>N</i>,<i>N</i>')copper(II)
Ri-Cheng Xuan; Min Xu; Dong-Ping Cheng; Acta Crystallographica Section C 62 (2006) m587–m589; doi:10.1107/S0108270106041916

data_2015668
_publ_section_title
;
 Dichloro(<i>O</i>-ethyl 3-methylpyridine-2-carboximidic
 acid-\k^2^<i>N</i>,<i>N</i>')copper(II)
;
_journal_coeditor_code           AV3037
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m587
_journal_page_last               m589
_journal_paper_doi               10.1107/S0108270106041916
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu Cl2 (C9 H12 N2 O)]'
_chemical_formula_moiety         'C18 H24 Cl4 Cu2 N4 O2'
_chemical_formula_sum            'C18 H24 Cl4 Cu2 N4 O2'
_chemical_formula_weight         597.29
_chemical_name_systematic
;
Dichloro(O-ethyl 3-methylpyridine-2-carboximidic acid-\k^2^N,N')copper(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'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 102.654(15)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.531(5)
_cell_length_b                   10.274(6)
_cell_length_c                   11.012(5)
_cell_measurement_reflns_used    9855
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      3.03
_cell_volume                     1162.5(10)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC & Rigaku (2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11146
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.312
_exptl_absorpt_correction_T_max  0.539
_exptl_absorpt_correction_T_min  0.417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.284
_refine_diff_density_min         -0.423
_refine_ls_extinction_coef       0.0080(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         2644
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0251P)^2^+0.5469P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0582
_reflns_number_gt                2378
_reflns_number_total             2644
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            av3037.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2015668
_cod_database_fobs_code          2015668