Bis{(<i>E</i>)-2-[1-(ethoxyimino)ethyl]-1-naphtholato-κ^2^<i>N</i>,<i>O</i>^1^}copper(II)
Dong, Wen-Kui; Dong, Xiu-Yan; Sun, Yin-Xia; Wu, Jian-Chao; Xing, Si-Jia; Acta Crystallographica Section E 66 (2010) m1626–; doi:10.1107/S1600536810047574

data_2228636
_publ_section_title
;
 Bis{(<i>E</i>)-2-[1-(ethoxyimino)ethyl]-1-naphtholato-\k^2^<i>N</i>,<i>O</i>^1^}copper(II)
;
_journal_coeditor_code           ZS2078
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1626
_journal_paper_doi               10.1107/S1600536810047574
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu (C14 H14 N O2)2]'
_chemical_formula_moiety         'C28 H28 Cu N2 O4'
_chemical_formula_sum            'C28 H28 Cu N2 O4'
_chemical_formula_weight         520.06
_chemical_melting_point_gt       315
_chemical_melting_point_lt       316
_chemical_name_systematic
;
Bis{(<i>E</i>)-2-[1-(ethoxyimino)ethyl]-1-naphtholato-
\k^2^<i>N</i>,<i>O</i>^1^}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                 96.3170(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.3170(10)
_cell_length_b                   7.1092(8)
_cell_length_c                   15.171(2)
_cell_measurement_reflns_used    1730
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.53
_cell_measurement_theta_min      2.702
_cell_volume                     1213.2(2)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0541
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6095
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.81
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.938
_exptl_absorpt_correction_T_max  0.9120
_exptl_absorpt_correction_T_min  0.8568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-like
_exptl_crystal_F_000             542
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.220
_refine_diff_density_min         -0.205
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     162
_refine_ls_number_reflns         2130
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0356
_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^)+(0.0342P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                1490
_reflns_number_total             2130
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2078.cif
_cod_data_source_block           I
_cod_original_cell_volume        1213.1(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2228636
_cod_database_fobs_code          2228636