A ruthenium catalyst yielding crosslinked polyethylene
Laurence Piche; Jean-Christophe Daigle; Jerome Claverie; Chem.Commun. 47 (2011) 7836–; doi:10.1039/c1cc11677k

data_7106578
_publ_section_title
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 A ruthenium catalyst yielding crosslinked polyethylene
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_journal_name_full               Chem.Commun.
_journal_page_first              7836
_journal_paper_doi               10.1039/c1cc11677k
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C36 H28 O6 P2 Ru S2'
_chemical_formula_weight         783.71
_chemical_name_systematic
;
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;
_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                83.6660(10)
_cell_angle_beta                 78.9260(10)
_cell_angle_gamma                65.2260(10)
_cell_formula_units_Z            2
_cell_length_a                   11.1056(3)
_cell_length_b                   13.1727(4)
_cell_length_c                   14.9965(4)
_cell_measurement_temperature    200(2)
_cell_volume                     1953.76(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0190
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25217
_diffrn_reflns_theta_full        72.20
_diffrn_reflns_theta_max         72.20
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    5.352
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             796
_refine_diff_density_max         0.494
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         7367
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.084
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0593P)^2^+1.3476P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0862
_reflns_number_gt                7085
_reflns_number_total             7367
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc11677k.txt
_cod_data_source_block           clavr2
_cod_original_cell_volume        1953.76(9)
_cod_database_code               7106578