{<i>N</i>,<i>N</i>'-Bis[3-(2-nitrophenyl)prop-2-enylidene]ethylenediamine-κ^2^<i>N</i>,<i>N</i>'}iodido(triphenylphosphane-κ<i>P</i>)copper(I)
Habibi, Mohammad Hossein; Lalegani, Arash; Mokhtari, Reza; Suzuki, Takayoshi; Acta Crystallographica Section E 63 (2007) m2472–m2472; doi:10.1107/S1600536807042493

data_2215371
_publ_section_title
{<i>N</i>,<i>N</i>'-Bis[3-(2-nitrophenyl)prop-2-enylidene]ethylenediamine-\k^2^<i>N</i>,<i>N</i>'}iodido(triphenylphosphane-\k<i>P</i>)copper(I)
_journal_coeditor_code           BT2493
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2472
_journal_page_last               m2472
_journal_paper_doi               10.1107/S1600536807042493
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu I (C20 H18 N4 O4) (C18 H15 P)]'
_chemical_formula_moiety         'C38 H33 Cu I N4 O4 P'
_chemical_formula_sum            'C38 H33 Cu I N4 O4 P'
_chemical_formula_weight         831.09
_chemical_name_systematic
;
{N,N'-Bis[3-(2-nitrophenyl)prop-2-enylidene]ethylenediamine-
\k^2^N,N'}iodido(triphenylphosphane-\kP)copper(I)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 122.54(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.64(2)
_cell_length_b                   15.586(10)
_cell_length_c                   17.638(11)
_cell_measurement_reflns_used    25590
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     7333(8)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2007)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      200(2)
_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_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31361
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    1.526
_exptl_absorpt_correction_T_max  0.8381
_exptl_absorpt_correction_T_min  0.6172
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1999)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3344
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.501
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         8296
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0217
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.028P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0499
_refine_ls_wR_factor_ref         0.0507
_reflns_number_gt                6482
_reflns_number_total             8296
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2493.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2215371
_cod_database_fobs_code          2215371