New hybrid core–shell star-like architectures made of poly(n-butyl acrylate) grown from well-defined titanium oxo-clusters
Périneau, Fabien; Pensec, Sandrine; Sassoye, Capucine; Ribot, François; van Lokeren, Luk; Willem, Rudolph; Bouteiller, Laurent; Sanchez, Clément; Rozes, Laurence; Journal of Materials Chemistry 21 (2011) 4470–; doi:10.1039/c0jm04047a

data_7205926
_publ_section_title
;
 New hybrid core--shell star-like architectures made of poly(n-butyl
 acrylate) grown from well-defined titanium oxo-clusters
;
_journal_issue                   12
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              4470
_journal_paper_doi               10.1039/c0jm04047a
_journal_volume                  21
_journal_year                    2011
_chemical_formula_moiety         'C64 H142 Cl18 O48 Ti16'
_chemical_formula_sum            'C64 H142 Cl18 O48 Ti16'
_chemical_formula_weight         3084.28
_chemical_name_common            Ti16
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :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                   21.657(3)
_cell_length_b                   21.657(3)
_cell_length_c                   57.01(2)
_cell_measurement_reflns_used    140
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      3
_cell_volume                     26739(11)
_computing_cell_refinement       'Dirax/lsq Duisenberg & Schreurs, 1989-2000'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.0967
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       74
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_number            80968
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.327
_exptl_absorpt_correction_T_max  0.864
_exptl_absorpt_correction_T_min  0.376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             12544
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.910
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.319
_refine_ls_extinction_coef       0.00034(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.397
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         7704
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.402
_refine_ls_R_factor_all          0.1577
_refine_ls_R_factor_gt           0.0883
_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^)+(0.1606P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2802
_refine_ls_wR_factor_ref         0.3303
_reflns_number_gt                4388
_reflns_number_total             7704
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0jm04047a_cif.txt
_cod_data_source_block           Ti16-cif
_cod_original_sg_symbol_H-M      'I 41/a c d '
_cod_database_code               7205926