Poly[tetrabutyltetrakis(μ~2~-hydrogen phenylphosphonato)ditin(IV)]
Sarr, Modou; Diasse-Sarr, Aminata; Diop, Libasse; Molloy, Kieran C.; Kociok-Kohn, Gabriele; Acta Crystallographica Section E 68 (2012) m1334–; doi:10.1107/S1600536812040834

data_2236075
_publ_section_title
;
 Poly[tetrabutyltetrakis(\m~2~-hydrogen phenylphosphonato)ditin(IV)]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1334
_journal_paper_doi               10.1107/S1600536812040834
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Sn2 (C4 H9)4 (C6 H6 P O3)4]'
_chemical_formula_moiety         'C40 H60 O12 P4 Sn2'
_chemical_formula_sum            'C40 H60 O12 P4 Sn2'
_chemical_formula_weight         1094.14
_chemical_melting_point          463
_chemical_name_common
'Poly[dibutylbis(\m~2~-hydrogen phenylphosphonato)stannate(IV)]'
_chemical_name_systematic
'Poly[tetrabutyltetrakis(\m~2~-hydrogen phenylphosphonato)ditin(IV)'
_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                74.0740(10)
_cell_angle_beta                 89.7420(10)
_cell_angle_gamma                77.2910(10)
_cell_formula_units_Z            2
_cell_length_a                   11.0258(3)
_cell_length_b                   13.8500(4)
_cell_length_c                   16.0177(4)
_cell_measurement_reflns_used    31068
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     2290.43(11)
_computing_cell_refinement
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       '525 1.1 degree images with \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  0.0603
_diffrn_reflns_av_sigmaI/netI    0.0540
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35391
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.05
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.288
_exptl_absorpt_correction_T_max  0.8820
_exptl_absorpt_correction_T_min  0.6986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.727
_refine_diff_density_min         -1.926
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     570
_refine_ls_number_reflns         10394
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0526
_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^)+(0.0765P)^2^+5.2512P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1288
_refine_ls_wR_factor_ref         0.1420
_reflns_number_gt                8145
_reflns_number_total             10394
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2452.cif
_cod_data_source_block           I
_cod_original_cell_volume        2290.44(11)
_cod_database_code               2236075
_cod_database_fobs_code          2236075