<i>mer</i>,<i>trans</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>']dichloro(triphenylphosphine)ruthenium(II) 0.5-Dichloromethane Solvate
Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.; Acta Crystallographica Section C 51 (1995) 2514–2517; doi:10.1107/S0108270195007591

data_2004294
_publ_section_title
;<i>mer</i>,<i>trans</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>']dichloro(triphenylphosphine)ruthenium(II)
 0.5-Dichloromethane Solvate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2514
_journal_page_last               2517
_journal_paper_doi               10.1107/S0108270195007591
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C49 H50 Cl2 N P3 Ru , 0.5C H2 Cl2'
_chemical_formula_sum            'C49.5 H51 Cl3 N P3 Ru'
_chemical_formula_weight         960.30
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source
'IntTabIV and Stewart, Davidson & Simpson (1965) (H atoms)'
_cell_angle_alpha                90
_cell_angle_beta                 92.16(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   44.117(9)
_cell_length_b                   10.650(2)
_cell_length_c                   18.898(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      15
_cell_volume                     8873(3)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5232
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.817
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_type   'empirical, (DIFABS: Walker & Stuart, 1983)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.611
_refine_diff_density_min         -0.672
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.202
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     450
_refine_ls_number_reflns         5232
_refine_ls_R_factor_obs          0.0339
_refine_ls_shift/esd_max         -0.022
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;                    1/[\s^2^(F~o~)^2^+(0.0469P)^2^+41.3217P]
where P = (F~o~^2^+2F~c~^2^)/3
;
_refine_ls_wR_factor_obs         0.0999
_reflns_number_observed          5231
_reflns_number_total             5232
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            na1178.cif
_cod_data_source_block           na1178a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2004294