(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[4'-(2,5-dimethoxyphenyl)-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II) hexafluoridophosphate acetonitrile monosolvate
Oyama, Dai; Kido, Masato; Orita, Ai; Takase, Tsugiko; Acta Crystallographica Section E 65 (2009) m1117–m1118; doi:10.1107/S1600536809032589

data_2223127
_publ_section_title
;(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')chlorido[4'-(2,5-dimethoxyphenyl)-2,2':6',2''-terpyridine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II)
 hexafluoridophosphate acetonitrile monosolvate
;
_journal_coeditor_code           IS2438
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1117
_journal_page_last               m1118
_journal_paper_doi               10.1107/S1600536809032589
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Ru Cl (C10 H8 N2) (C23 H19 N3 O2)] P1 F6, C2 H3 N'
_chemical_formula_moiety         'C33 H27 Cl N5 O2 Ru +, F6 P -, C2 H3 N '
_chemical_formula_sum            'C35 H30 Cl F6 N6 O2 P Ru'
_chemical_formula_weight         848.15
_chemical_name_systematic
;
(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')chlorido[4'-(2,5-dimethoxyphenyl)-
2,2':6',2''-terpyridine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II)
hexafluoridophosphate acetonitrile monosolvate
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   13.8691(3)
_cell_length_b                   16.1993(3)
_cell_length_c                   31.5514(6)
_cell_measurement_reflns_used    82995
_cell_measurement_temperature    296.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     7088.6(2)
_computing_cell_refinement
;
<i>PROCESS-AUTO</i> (Rigaku, 1998)
;
_computing_data_collection
;
<i>PROCESS-AUTO</i> (Rigaku, 1998)
;
_computing_data_reduction
;
<i>CrystalStructure</i> (Rigaku Americas & Rigaku, 2007)
;
_computing_molecular_graphics
;
<i>ORTEP-3 for Windows</i> (Farrugia, 1997)
;
_computing_publication_material
;
<i>CrystalStructure</i> (Rigaku Americas & Rigaku, 2007)
;
_computing_structure_refinement
;
<i>CRYSTALS</i> (Betteridge <i>et al.</i>, 2003)
;
_computing_structure_solution
;
<i>SIR97</i> (Altomare <i>et al.</i>, 1999)
;
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            102710
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.637
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>ABSCOR</i>; Higashi, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3424.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     495
_refine_ls_number_reflns         8092
_refine_ls_R_factor_gt           0.0374
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.0008Fo^2^ + \s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1110
_reflns_number_gt                5738
_reflns_number_total             8092
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            is2438.cif
_cod_data_source_block           I
_cod_original_cell_volume        7088.7(2)
_cod_original_formula_sum        'C35 H30 Cl F6 N6 O2 P Ru '
_cod_database_code               2223127
_cod_database_fobs_code          2223127