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_7005243
_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         ' 2(C40 H40 O4 P2 Ru) , C H2 Cl2'
_chemical_formula_sum            'C81 H82 Cl2 O8 P4 Ru2'
_chemical_formula_weight         1580.48
_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             1998-10-20
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
?
;
_cell_angle_alpha                65.46(2)
_cell_angle_beta                 66.17(2)
_cell_angle_gamma                60.76(2)
_cell_formula_units_Z            2
_cell_length_a                   16.317(4)
_cell_length_b                   16.469(6)
_cell_length_c                   18.975(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      17.7
_cell_volume                     3915(2)
_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      296.2
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Rigaku AFC6S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.06942
_diffrn_orient_matrix_UB_12      0.01060
_diffrn_orient_matrix_UB_13      0.01150
_diffrn_orient_matrix_UB_21      0.00212
_diffrn_orient_matrix_UB_22      0.03185
_diffrn_orient_matrix_UB_23      -0.05815
_diffrn_orient_matrix_UB_31      0.02115
_diffrn_orient_matrix_UB_32      -0.06407
_diffrn_orient_matrix_UB_33      -0.00854
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.03038
_diffrn_reflns_av_sigmaI/netI    0.120
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18715
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        -11.82
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.588
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
analytical (de Meulenaer & Tompa, 1965)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_meas      ?
_exptl_crystal_description       hexprism
_exptl_crystal_F_000             1628.00
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.70
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.323
_refine_ls_goodness_of_fit_ref   1.538
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    7
_refine_ls_number_parameters     876
_refine_ls_number_reflns         9045
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1292
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.0270
_refine_ls_shift/su_mean         0.0040
_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         0.0547
_refine_ls_wR_factor_gt          0.0439
_refine_ls_wR_factor_ref         0.0439
_reflns_number_gt                9045
_reflns_number_total             18081
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b618365d.txt
_cod_data_source_block           mat14
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C81 H82 Cl2 O8 P4 Ru2 '
_cod_database_code               7005243