The one-dimensional coordination polymer poly[tetrakis[(4-chlorophenyl)methanaminium] [cadmate-μ-cyclohexaphosphorato]]
Abid, Sonia; Al-Deyab, S. Salem; Rzaigui, Mohamed; Acta Crystallographica Section E 67 (2011) m1549–m1550; doi:10.1107/S160053681104133X

data_2232223
_publ_section_title
;
 The one-dimensional coordination polymer
 poly[tetrakis[(4-chlorophenyl)methanaminium]
 [cadmate-\m-cyclohexaphosphorato]]
;
_journal_coeditor_code           FF2028
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1549
_journal_page_last               m1550
_journal_paper_doi               10.1107/S160053681104133X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C7 H9 Cl N)4 [Cd (P6 O18)]'
_chemical_formula_moiety         'Cd O18 P6, 4(C7 H9 Cl N)'
_chemical_formula_sum            'C28 H36 Cd Cl4 N4 O18 P6'
_chemical_formula_weight         1156.63
_chemical_name_systematic
;
poly[tetrakis[(4-chlorophenyl)methanaminium] [cadmate-\m-cyclohexaphosphorato]]
;
_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                87.31(5)
_cell_angle_beta                 88.914(19)
_cell_angle_gamma                70.100(3)
_cell_formula_units_Z            1
_cell_length_a                   8.021(4)
_cell_length_b                   8.1696(16)
_cell_length_c                   17.919(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      10.78
_cell_measurement_theta_min      9.12
_cell_volume                     1102.9(6)
_computing_cell_refinement       'CAD-4 Express (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 Express (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.710
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf--Nonius TurboCAD-4'
_diffrn_measurement_method       'non-profiled omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mok\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0094
_diffrn_reflns_av_sigmaI/netI    0.0110
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            3873
_diffrn_reflns_theta_full        30
_diffrn_reflns_theta_max         27.97
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.030
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             582
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.566
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         3770
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0272
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0373P)^2^+0.8630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0727
_refine_ls_wR_factor_ref         0.0743
_reflns_number_gt                3506
_reflns_number_total             3770
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ff2028.cif
_cod_data_source_block           I
_cod_database_code               2232223
_cod_database_fobs_code          2232223