Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-{μ~4~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine-κ^4^<i>P</i>:<i>P</i>':<i>P</i>'':<i>P</i>'''}tetracopper(II)]
Liu, Jia-Qin; Zhang, Yan; Lü, Ya-Jing; Jiang, Zhen-Jü; Acta Crystallographica Section E 68 (2012) m430–; doi:10.1107/S1600536812010860

data_2234490
_publ_section_title
;
 Poly[di-\m~3~-chlorido-di-\m~2~-chlorido-{\m~4~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine-\k^4^<i>P</i>:<i>P</i>':<i>P</i>'':<i>P</i>'''}tetracopper(II)]
;
_journal_coeditor_code           ZQ2150
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m430
_journal_paper_doi               10.1107/S1600536812010860
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu4 Cl4 (C58 H52 N2 P4)]'
_chemical_formula_moiety         'C58 H52 Cl4 Cu4 N2 P4'
_chemical_formula_sum            'C58 H52 Cl4 Cu4 N2 P4'
_chemical_formula_weight         1296.86
_chemical_name_systematic
;
Poly[di-\m~3~-chlorido-di-\m~2~-chlorido-{\m~4~-
<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-
tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine-
\k^4^<i>P</i>:<i>P</i>':<i>P</i>'':<i>P</i>'''}tetracopper(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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 123.94(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.298(7)
_cell_length_b                   17.649(12)
_cell_length_c                   18.009(9)
_cell_measurement_reflns_used    5682
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.32
_cell_measurement_theta_min      2.76
_cell_volume                     2715(3)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(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       '\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  0.0853
_diffrn_reflns_av_sigmaI/netI    0.1321
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15819
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.901
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.697
_refine_diff_density_min         -0.622
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5333
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.943
_refine_ls_R_factor_all          0.1079
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1237
_refine_ls_wR_factor_ref         0.1428
_reflns_number_gt                3089
_reflns_number_total             5333
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zq2150.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2234490
_cod_database_fobs_code          2234490