Activation of metal-bound eta5-C5Me5 groups to Diels-Alder addition of 3O2 and other dienophiles.
Boag, Neil M; Rao, K Mohan; Chemical communications (Cambridge, England) 34 (2009) 1499–1501; doi:10.1039/b818537a

data_7104253
_publ_section_title
;
 Activation of metal-bound eta5-C5Me5 groups to Diels-Alder addition of
 3O2 and other dienophiles.
;
_journal_issue                   12
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1499
_journal_page_last               1501
_journal_paper_doi               10.1039/b818537a
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C33 H38 I O P Pt'
_chemical_formula_sum            'C33 H38 I O P Pt'
_chemical_formula_weight         803.59
_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                 92.55(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.490(3)
_cell_length_b                   15.263(4)
_cell_length_c                   21.282(7)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      9.84
_cell_measurement_theta_min      4.67
_cell_volume                     3079.5(15)
_computing_cell_refinement       'SHELXTL Plus Release 3.4 (Nicolet, 1988)'
_computing_data_collection       'SHELXTL Plus Release 3.4 (Nicolet, 1988)'
_computing_data_reduction        'SHELXTL Plus Release 3.4 (Nicolet, 1988)'
_computing_molecular_graphics    'SHELXTL Version 5.03 (Siemens, 1994)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL Plus Release 3.4 (Nicolet, 1988)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Siemens R3m/V'
_diffrn_measurement_method       'profile data from \q/2\q 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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            7499
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.634
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.512
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
80 reflections having 2\q between 11.59 and 17.67 degrees giving 284
\y scans used for parameter estimation
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.512
_refine_diff_density_min         -1.648
_refine_diff_density_rms         0.149
_refine_ls_extinction_coef       0.00045(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   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         7094
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0488
_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^)+(0.0417P)^2^+8.6595P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                4258
_reflns_number_total             7094
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818537a.txt
_cod_data_source_block           3c
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7104253