{μ-Bis[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}bis[iodo(triphenylphosphine-κ<i>P</i>)copper(I)] acetonitrile disolvate
Aliakbar Dehno Khalajii; Medhi Amirnasr; Richard Welter; Acta Crystallographica Section E 62 (2006) m2950–m2951; doi:10.1107/S1600536806040992

data_2211228
_publ_section_title
;{\m-Bis[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>'}bis[iodo(triphenylphosphine-\k<i>P</i>)copper(I)]
 acetonitrile disolvate
;
_journal_coeditor_code           WM2052
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2950
_journal_page_last               m2951
_journal_paper_doi               10.1107/S1600536806040992
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu2 I2 (C16 H18 N4) (C6 H15 P3)2], 2CH3 CN'
_chemical_formula_moiety         'C52 H48 Cu2 I2 N4 P2, 2(C2 H3 N)'
_chemical_formula_sum            'C56 H54 Cu2 I2 N6 P2'
_chemical_formula_weight         1253.87
_chemical_name_systematic
;
Diiodo-[\m-bis(1-pyridin-2-ylethylidene)ethane-1,2-diamine-\k^2^<i>N</i>,\
<i>N</i>'] -bis[triphenylphosphine-\k<i>P</i>]dicopper(I) acetonitrile
disolvate
;
_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'
_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                 95.1300(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2220(2)
_cell_length_b                   18.6470(4)
_cell_length_c                   15.6570(4)
_cell_measurement_reflns_used    8027
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     2681.63(11)
_computing_cell_refinement       'Denzo (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius, 1998)'
_computing_data_reduction        Denzo
_computing_molecular_graphics    'PLATON98 (Spek, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0876
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18398
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         2.18
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.046
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.651
_refine_diff_density_min         -0.812
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         7829
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0445
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0470P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.1171
_reflns_number_gt                5114
_reflns_number_total             7829
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2052.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2211228
_cod_database_fobs_code          2211228