Insertion of a phospholide unit into a metalmetal bond: Synthesis and X-ray structure of [Ru3(CO)9(nu:?1:?5-PC4H2Me2)(?1-C6H5)]
Alejandro J. Arce; Ysaura De Sanctis; Maria Cristina Goite; Ruben Machado; Yomaira Otero; Teresa Gonzalez; Inorganica Chimica Acta 392 (2012) 241–245; doi:10.1016/j.ica.2012.01.033

data_1512605
_publ_section_title
;
 Insertion of a phospholide unit into a metalmetal bond: Synthesis and
 X-ray structure of [Ru3(CO)9(nu:?1:?5-PC4H2Me2)(?1-C6H5)]
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              241
_journal_page_last               245
_journal_paper_doi               10.1016/j.ica.2012.01.033
_journal_volume                  392
_journal_year                    2012
_chemical_formula_sum            'C45 H45 O9 P3 Ru3'
_chemical_formula_weight         1125.93
_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
_cell_angle_alpha                79.084(11)
_cell_angle_beta                 81.984(11)
_cell_angle_gamma                81.475(12)
_cell_formula_units_Z            2
_cell_length_a                   10.9509(13)
_cell_length_b                   14.4682(19)
_cell_length_c                   15.4482(18)
_cell_measurement_temperature    293(2)
_cell_volume                     2361.1(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.774
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26903
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.07
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    1.100
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1128
_refine_diff_density_max         1.200
_refine_diff_density_min         -0.659
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         8905
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0323
_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^)+(0.0389P)^2^+1.5119P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0869
_reflns_number_gt                7487
_reflns_number_total             8905
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2012-392-241-245-1.CIF
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1512605