Bis(acetylacetonato)ruthenium(II) complexes containing alkynyldiphenylphosphines. Formation and redox behaviour of [Ru(acac)2(Ph2PC triple bond CR)2] (R=H, Me, Ph) complexes and the binuclear complex cis-[{Ru(acac)2}2(micro-Ph2PC triple bond CPPh2)}2].
Bennett, Martin A.; Byrnes, Matthew J.; Willis, Anthony C.; Dalton transactions (Cambridge, England : 2003)  (2007) 1677–1686; doi:10.1039/b618365d

data_7005242
_publ_section_title
;
 Bis(acetylacetonato)ruthenium(II) complexes containing
 alkynyldiphenylphosphines. Formation and redox behaviour of
 [Ru(acac)2(Ph2PC triple bond CR)2] (R=H, Me, Ph) complexes and the
 binuclear complex cis-[{Ru(acac)2}2(micro-Ph2PC triple bond CPPh2)}2].
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1677
_journal_page_last               1686
_journal_paper_doi               10.1039/b618365d
_journal_year                    2007
_chemical_formula_moiety         ' C40 H40 O4 P2 Ru +, P F6 - , 2(C H2 Cl2) '
_chemical_formula_sum            'C42 H44 Cl4 F6 O4 P3 Ru'
_chemical_formula_weight         1062.60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             1998-07-01
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
?
;
_cell_angle_alpha                104.946(6)
_cell_angle_beta                 93.248(7)
_cell_angle_gamma                97.520(7)
_cell_formula_units_Z            1
_cell_length_a                   9.7900(9)
_cell_length_b                   11.1192(8)
_cell_length_c                   11.1518(9)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      53.5
_cell_measurement_theta_min      45.8
_cell_volume                     1157.60(17)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1993)
;
_diffrn_ambient_temperature      193.2
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Rigaku AFC6R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.03213
_diffrn_orient_matrix_UB_12      -0.01786
_diffrn_orient_matrix_UB_13      -0.09044
_diffrn_orient_matrix_UB_21      0.05452
_diffrn_orient_matrix_UB_22      0.08163
_diffrn_orient_matrix_UB_23      -0.00289
_diffrn_orient_matrix_UB_31      0.08189
_diffrn_orient_matrix_UB_32      -0.04341
_diffrn_orient_matrix_UB_33      -0.02244
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.03076
_diffrn_reflns_av_sigmaI/netI    0.080
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3678
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        60
_diffrn_reflns_theta_max         60.03
_diffrn_reflns_theta_min         4.12
_diffrn_standards_decay_%        -2.62
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.407
_exptl_absorpt_correction_T_max  0.747
_exptl_absorpt_correction_T_min  0.518
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
analytical (de Meulenaer & Tompa, 1965)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_meas      ?
_exptl_crystal_description       rhomboid
_exptl_crystal_F_000             539.00
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.306
_refine_ls_goodness_of_fit_ref   1.362
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     340
_refine_ls_number_reflns         2737
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.0943
_refine_ls_shift/su_mean         0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0452
_refine_ls_wR_factor_gt          0.0414
_refine_ls_wR_factor_ref         0.0414
_reflns_number_gt                2737
_reflns_number_total             3443
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b618365d.txt
_cod_data_source_block           mat13
_cod_original_cell_volume        1157.6(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C42 H44 Cl4 F6 O4 P3 Ru '
_cod_database_code               7005242