Poly[{(BuSn)12O14(OH)6}(AMPS)2] and poly[methyl acrylate-co-{(BuSn)12O14(OH)6}(AMPS)2]: hybrid polymers cross-linked through electrostatic interactions
Ribot, François; Veautier, Delphine; Guillaudeu, Steven J.; Lalot, Thierry; Journal of Materials Chemistry 15 (2005) 3973–; doi:10.1039/b507214j

data_7203825
_publ_section_title
;
 Poly[{(BuSn)12O14(OH)6}(AMPS)2] and poly[methyl
 acrylate-co-{(BuSn)12O14(OH)6}(AMPS)2]: hybrid polymers cross-linked
 through electrostatic interactions
;
_journal_issue                   35-36
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              3973
_journal_paper_doi               10.1039/b507214j
_journal_volume                  15
_journal_year                    2005
_chemical_formula_moiety         'C48 H114 O20 Sn12 2+, (C7 H12 N1 O4 S1 1-)2'
_chemical_formula_sum            'C62 H138 N2 O28 S2 Sn12'
_chemical_formula_weight         2848.20
_chemical_name_systematic
;
?
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.505(8)
_cell_length_b                   35.505(8)
_cell_length_c                   15.724(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.1
_cell_measurement_theta_min      13.9
_cell_volume                     19822(8)
_computing_cell_refinement       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_reduction
'RC93 (Watkin, D.J., Prout, C.K., Lilley, P.M.deQ. 1994)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf-nonius CAD4 '
_diffrn_measurement_method       2\q/\w
_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  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0523
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9021
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.15
_diffrn_standards_decay_%        17.55
_diffrn_standards_interval_time  3600
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    3.073
_exptl_absorpt_correction_T_max  0.8002
_exptl_absorpt_correction_T_min  0.7303
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
A.C.T. North, D.C. Philips & F.S. Mathews,
Acta Cryst. (1968), A24, 351-359
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.905
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             10992
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         2.037
_refine_diff_density_min         -1.332
_refine_diff_density_rms         0.380
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         8708
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1933P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1581
_reflns_number_gt                3850
_reflns_number_total             8708
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b507214j.txt
_cod_data_source_block           fran3
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7203825