<i>anti</i>,<i>mer</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>'](phenylethynyl)[(<i>Z</i>)-1-<i>p</i>-tolyl-4-phenyl-η^3^-but-1-en-3-ynyl]ruthenium(II) Chloroform Solvate
Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.; Acta Crystallographica Section C 52 (1996) 1973–1976; doi:10.1107/S0108270196002776

data_2005285
_publ_section_title
;<i>anti</i>,<i>mer</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>'](phenylethynyl)[(<i>Z</i>)-1-<i>p</i>-tolyl-4-phenyl-\h^3^-but-1-en-3-ynyl]ruthenium(II)
 Chloroform Solvate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1973
_journal_page_last               1976
_journal_paper_doi               10.1107/S0108270196002776
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac
'[Ru (C8 H5)(C17 H13)(C31 H35 N P2)] , C H Cl3'
_chemical_formula_sum            'C57 H54 Cl3 N P2 Ru'
_chemical_formula_weight         1022.37
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           'Cromer & Waber (1974)'
_cell_angle_alpha                90
_cell_angle_beta                 92.00(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.987(2)
_cell_length_b                   24.929(2)
_cell_length_c                   15.472(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17
_cell_measurement_theta_min      12
_cell_volume                     5006.1(11)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'local software'
_computing_molecular_graphics    'ZORTEP (Zsolnai & Pritzkow, 1994)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7222
_diffrn_reflns_theta_max         22.99
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.575
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_type   'refined from \DF (Walker & Stuart, 1983)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_method    none
_exptl_crystal_description       'small prism'
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.280
_refine_diff_density_min         -1.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.017
_refine_ls_number_parameters     257
_refine_ls_number_reflns         6892
_refine_ls_R_factor_obs          0.0625
_refine_ls_shift/esd_max         0.531
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
w = 1/[\s^2^(F~o~)^2^ + (0.0649P)^2^ + 36.1124P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_obs         0.1516
_reflns_number_observed          4519
_reflns_number_total             6930
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            na1221.cif
_cod_data_source_block           na1221a
_cod_original_cell_volume        5006(1)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C57 H54 Cl3 N1 P2 Ru1'
_cod_database_code               2005285