Indenyl Ruthenium Complexes with an Unusual η3Coordination Mode
Yuan, Jia; Han, Zhi-Jun; Peng, Hui; Pi, Yun-Xiao; Chen, You; Liu, Sheng-Hua; Yu, Guang-Ao; Organometallics 33 (2014) 7325–; doi:10.1021/om500760w

data_4084865
_publ_section_title
;
 Indenyl Ruthenium Complexes with an Unusual \h3Coordination Mode
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              7325
_journal_paper_doi               10.1021/om500760w
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C33 H31 O6 P Ru2'
_chemical_formula_weight         756.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                94.6780(10)
_cell_angle_beta                 93.1560(10)
_cell_angle_gamma                110.2950(10)
_cell_formula_units_Z            2
_cell_length_a                   10.3666(9)
_cell_length_b                   11.0130(9)
_cell_length_c                   14.5762(12)
_cell_measurement_temperature    298(2)
_cell_volume                     1549.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9721
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_T_max  0.9006
_exptl_absorpt_correction_T_min  0.8824
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.879
_refine_diff_density_min         -0.823
_refine_diff_density_rms         0.220
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5359
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0284
_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^)+(0.0964P)^2^+0.2432P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0981
_refine_ls_wR_factor_ref         0.1379
_reflns_number_gt                4751
_reflns_number_total             5359
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500760w_si_002.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 4084864--4084866.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4084865