Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters
Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert; Journal of Materials Chemistry 16 (2006) 3268–; doi:10.1039/b518277h

data_7203245
_publ_section_title
;
 Ring-opening metathesis polymerizations with norbornene
 carboxylate-substituted metal oxo clusters
;
_journal_issue                   32
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              3268
_journal_paper_doi               10.1039/b518277h
_journal_volume                  16
_journal_year                    2006
_chemical_formula_sum            'C88 H128 O28 Ti6'
_chemical_formula_weight         1921.30
_chemical_name_systematic
;
?
;
_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                 103.5360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.1926(16)
_cell_length_b                   14.9481(11)
_cell_length_c                   28.015(2)
_cell_measurement_reflns_used    5546
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.130
_cell_measurement_theta_min      4.518
_cell_volume                     9442.6(12)
_computing_cell_refinement       'Bruker-AXS SMART Software'
_computing_data_collection       'Bruker-AXS SMART Software'
_computing_data_reduction        'Bruker-AXS SMART Software'
_computing_molecular_graphics    'Bruker-AXS SHELXTL Software'
_computing_publication_material  'Bruker-AXS SHELXTL Software'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker-AXS APEX CCD Detector'
_diffrn_measurement_method       omega-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  0.1475
_diffrn_reflns_av_sigmaI/netI    0.1548
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            96562
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.02
_diffrn_standards_interval_time  15
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  0.9464
_exptl_absorpt_correction_T_min  0.8640
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4048
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.503
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.722
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1099
_refine_ls_number_reflns         16568
_refine_ls_number_restraints     256
_refine_ls_restrained_S_all      0.749
_refine_ls_R_factor_all          0.2136
_refine_ls_R_factor_gt           0.0707
_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^)+(0.1055P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1642
_refine_ls_wR_factor_ref         0.1978
_reflns_number_gt                4835
_reflns_number_total             16568
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b518277h.txt
_cod_data_source_block           compound_1
_cod_original_cell_volume        9442.5(12)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7203245