<i>cis</i>-Dichlorido[2-methyl-8-(pyridin-2-ylmethoxy)quinoline-κ^3^<i>N</i>,<i>O</i>,<i>N</i>'](triphenylphosphane-κ<i>P</i>)ruthenium(II) methanol monosolvate
Xu, Hui-Jun; Li, Yu; Du, Qing-Yang; Acta Crystallographica Section E 66 (2010) m1679–; doi:10.1107/S1600536810047033

data_2228433
_publ_section_title
;
 <i>cis</i>-Dichlorido[2-methyl-8-(pyridin-2-ylmethoxy)quinoline-\k^3^<i>N</i>,<i>O</i>,<i>N</i>'](triphenylphosphane-\k<i>P</i>)ruthenium(II)
 methanol monosolvate
;
_journal_coeditor_code           JH2228
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1679
_journal_paper_doi               10.1107/S1600536810047033
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ru Cl2 (C16 H14 N2 O) (C18 H15 P)], C H4 O'
_chemical_formula_moiety         'C34 H29 Cl2 N2 O P Ru, C H4 O'
_chemical_formula_sum            'C35 H33 Cl2 N2 O2 P Ru'
_chemical_formula_weight         716.57
_chemical_name_systematic
;
<i>cis</i>-Dichlorido[2-methyl-8-(pyridin-2-ylmethoxy)quinoline-
\k^3^<i>N</i>,<i>O</i>,<i>N</i>'](triphenylphosphane-\k<i>P</i>)ruthenium(II)
methanol monosolvate
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.868(2)
_cell_length_b                   11.480(2)
_cell_length_c                   31.6351(18)
_cell_measurement_reflns_used    592
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      13.18
_cell_measurement_theta_min      2.38
_cell_volume                     3220.6(9)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            17669
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.8547
_exptl_absorpt_correction_T_min  0.8202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.703
_refine_diff_density_min         -0.909
_refine_ls_abs_structure_details 'Flack (1983), 2722 Friedel pairs'
_refine_ls_abs_structure_Flack   0.06(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         6304
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.06P)^2^+1.99P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1135
_refine_ls_wR_factor_ref         0.1167
_reflns_number_gt                5620
_reflns_number_total             6304
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            jh2228.cif
_cod_data_source_block           I
_cod_original_cell_volume        3220.7(10)
_cod_database_code               2228433
_cod_database_fobs_code          2228433