<i>catena</i>-Poly[[(triphenylphosphane)copper(I)]-di-μ-iodido-[(triphenylphosphane)copper(I)]-μ-{1,2-bis[1-(pyridin-4-yl)ethylidene]hydrazine}]
Fun, Hoong-Kun; Loh, Wan-Sin; Patra, Goutam K.; Mukherjee, Anindita; Pal, Pankaj K.; Acta Crystallographica Section E 67 (2011) m1389–; doi:10.1107/S1600536811036555

data_2231882
_publ_section_title
;
 <i>catena</i>-Poly[[(triphenylphosphane)copper(I)]-di-\m-iodido-[(triphenylphosphane)copper(I)]-\m-{1,2-bis[1-(pyridin-4-yl)ethylidene]hydrazine}]
;
_journal_coeditor_code           HB6379
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1389
_journal_paper_doi               10.1107/S1600536811036555
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu2 I2 (C14 H14 N4) (C18 H15 P)2]'
_chemical_formula_moiety         'C50 H44 Cu2 I2 N4 P2'
_chemical_formula_sum            'C50 H44 Cu2 I2 N4 P2'
_chemical_formula_weight         1143.72
_chemical_name_systematic
;
<i>catena</i>-Poly[[(triphenylphosphane)copper(I)]-di-\m-iodido-
[(triphenylphosphane)copper(I)]-\m-{1,2-bis[1-(pyridin-
4-yl)ethylidene]hydrazine}]
;
_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                74.566(2)
_cell_angle_beta                 76.690(2)
_cell_angle_gamma                72.067(2)
_cell_formula_units_Z            1
_cell_length_a                   9.2788(4)
_cell_length_b                   11.4322(5)
_cell_length_c                   12.4204(5)
_cell_measurement_reflns_used    9948
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      34.88
_cell_measurement_theta_min      2.29
_cell_volume                     1192.41(9)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       '\f and \w 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  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0349
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            33229
_diffrn_reflns_theta_full        33.00
_diffrn_reflns_theta_max         33.00
_diffrn_reflns_theta_min         1.72
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.291
_exptl_absorpt_correction_T_max  0.724
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2009)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             566
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.341
_refine_diff_density_min         -1.806
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         8881
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0516P)^2^+0.4005P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0863
_reflns_number_gt                7865
_reflns_number_total             8881
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6379.cif
_cod_data_source_block           I
_cod_database_code               2231882
_cod_database_fobs_code          2231882