{<i>N</i>,<i>N</i>'-Bis[3-(2-nitrophenyl)prop-2-enylidene]ethylenediamine-κ^2^<i>N</i>,<i>N</i>'}chlorido(triphenylphosphine-κ<i>P</i>)copper(I)
Habibi, Mohammad Hossein; Lalegani, Arash; Mokhtari, Reza; Montazerozohori, Morteza; Harrington, Ross W.; Clegg, William; Acta Crystallographica Section E 63 (2007) m2933–m2934; doi:10.1107/S1600536807056267

data_2216275
_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>'}chlorido(triphenylphosphine-\k<i>P</i>)copper(I)
_journal_coeditor_code           BT2559
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2933
_journal_page_last               m2934
_journal_paper_doi               10.1107/S1600536807056267
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu Cl (C20 H18 N4 O4) (C18 H15 P)]'
_chemical_formula_moiety         'C38 H33 Cl Cu N4 O4 P'
_chemical_formula_sum            'C38 H33 Cl Cu N4 O4 P'
_chemical_formula_weight         739.64
_chemical_name_systematic
;
{N,N'-Bis[3-(2-nitrophenyl)prop-2-enylidene]ethylenediamine-
\k^2^N,N'}chlorido(triphenylphosphine-\kP)copper(I)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.338(3)
_cell_angle_beta                 90.767(3)
_cell_angle_gamma                103.499(3)
_cell_formula_units_Z            4
_cell_length_a                   8.4684(10)
_cell_length_b                   16.5749(19)
_cell_length_c                   26.321(3)
_cell_measurement_reflns_used    6328
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      2.5
_cell_volume                     3528.2(7)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'GEMINI and SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'SHELXTL and local programs'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2005)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'thin-slice \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0852
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            56982
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.38
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.786
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(TWINABS; Bruker, 2005)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.591
_refine_diff_density_min         -0.526
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     884
_refine_ls_number_reflns         33770
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0997
_refine_ls_R_factor_gt           0.0505
_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^)+(0.0326P)^2^+12.0057P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1318
_reflns_number_gt                21591
_reflns_number_total             33770
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2559.cif
_cod_data_source_block           I
_cod_database_code               2216275