The reaction of bis(1,2,4-tri-t-butylcyclopentadienyl)ceriumbenzyl, Cp'2CeCH2Ph, with methylhalides: a metathesis reaction that does not proceed by a metathesis transition state.
Werkema, Evan L.; Andersen, Richard A.; Maron, Laurent; Eisenstein, Odile; Dalton transactions (Cambridge, England : 2003) 39 (2010) 6648–6660; doi:10.1039/b918103b

data_7024512
_publ_section_title
;
 The reaction of bis(1,2,4-tri-t-butylcyclopentadienyl)ceriumbenzyl,
 Cp'2CeCH2Ph, with methylhalides: a metathesis reaction that does not
 proceed by a metathesis transition state.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6648
_journal_page_last               6660
_journal_paper_doi               10.1039/b918103b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C42 H67 Ce1, C2.25 H5.5'
_chemical_formula_sum            'C44.25 H72.5 Ce'
_chemical_formula_weight         744.64
_chemical_name_systematic
;
?
;
_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                84.069(4)
_cell_angle_beta                 79.816(4)
_cell_angle_gamma                66.418(3)
_cell_formula_units_Z            2
_cell_length_a                   10.528(2)
_cell_length_b                   12.032(3)
_cell_length_c                   17.562(4)
_cell_measurement_reflns_used    6536
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      50.594
_cell_measurement_theta_min      5.878
_cell_volume                     2005.4(8)
_computing_cell_refinement       'Bruker APEX2 v.2009.3'
_computing_data_collection       'Bruker APEX2 v.2009.3'
_computing_data_reduction        'Bruker APEX2 v.2009.3'
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\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  0.0821
_diffrn_reflns_av_sigmaI/netI    0.2139
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18167
_diffrn_reflns_theta_full        25.47
_diffrn_reflns_theta_max         25.47
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    1.162
_exptl_absorpt_correction_T_max  0.8786
_exptl_absorpt_correction_T_min  0.7900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.506
_refine_diff_density_min         -1.290
_refine_diff_density_rms         0.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.843
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         7273
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.843
_refine_ls_R_factor_all          0.0962
_refine_ls_R_factor_gt           0.0493
_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^)+(0.0573P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.1391
_reflns_number_gt                4054
_reflns_number_total             7273
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b918103b.txt
_cod_data_source_block           4mbz
_cod_original_formula_sum        'C44.25 H72.50 Ce'
_cod_database_code               7024512