Bis[<i>N</i>'-(9<i>H</i>-fluoren-9-ylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)
Yan-Ling Guo; Wei Dou; Wei-Sheng Liu; Hong-Rui Zhang; Acta Crystallographica, Section E 67 (2011) m1484–m1485; doi:10.1107/S1600536811038931

data_2231793
_publ_contact_author_address
;
Nuclear Science and Technology,
Lanzhou University
Lanzhou 730000
P.R.China
;
_publ_contact_author_email       guoyanling@lzu.edu.cn
_publ_contact_author_fax         +86-931-8913551
_publ_contact_author_name        'Dr Yan-Ling Guo'
_publ_contact_author_phone       +86-931-8913551
_publ_section_title
;
 Bis[<i>N</i>'-(9<i>H</i>-fluoren-9-ylidene)benzohydrazidato-\k^2^<i>N</i>',<i>O</i>]copper(II)
;
_journal_coeditor_code           BX2365
_journal_date_accepted           2011-09-22
_journal_date_recd_electronic    2011-07-27
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m1484
_journal_page_last               m1485
_journal_paper_category          QM
_journal_paper_doi               10.1107/S1600536811038931
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C20 H13 N2 O)2]'
_chemical_formula_moiety         'C40 H26 Cu N4 O2'
_chemical_formula_sum            'C40 H26 Cu N4 O2'
_chemical_formula_weight         658.19
_chemical_name_systematic
Bis[<i>N</i>'-(9<i>H</i>-fluoren-9-ylidene)benzohydrazidato-\k^2^<i>N</i>',<i>O</i>]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
'from SHELXL97 CIF and IUCr SHELXL97-template'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.205(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.437(2)
_cell_length_b                   25.882(3)
_cell_length_c                   8.1047(2)
_cell_measurement_reflns_used    1436
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.44
_cell_measurement_theta_min      2.755
_cell_volume                     2997.4(5)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.1311
_diffrn_reflns_av_sigmaI/netI    0.1763
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            15492
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.774
_exptl_absorpt_correction_T_max  0.9550
_exptl_absorpt_correction_T_min  0.8067
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.700
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         5331
_refine_ls_number_restraints     127
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1934
_refine_ls_R_factor_gt           0.0702
_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^)+(0.0807P)^2^+2.1941P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.2267
_reflns_number_gt                2230
_reflns_number_total             5331
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            bx2365.cif
_cod_data_source_block           I
_cod_original_cell_volume        2997.4(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2231793
_cod_database_fobs_code          2231793