Bis(2-phenyl-4,6-di-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^)ruthenium(II) bis(hexafluoridophosphate)
Polson, Matthew I. J.; Hanan, Garry S.; Acta Crystallographica Section E 64 (2008) m254–m255; doi:10.1107/S1600536807066883

data_2217302
_publ_section_title
;Bis(2-phenyl-4,6-di-2-pyridyl-1,3,5-triazine-\k^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^)ruthenium(II)
 bis(hexafluoridophosphate)
;
_journal_coeditor_code           SJ2423
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m254
_journal_page_last               m255
_journal_paper_doi               10.1107/S1600536807066883
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ru (C19 H13 N5)2] (P F6)2'
_chemical_formula_moiety         'C38 H26 N10 Ru 2+, 2(F6 P -)'
_chemical_formula_sum            'C38 H26 F12 N10 P2 Ru'
_chemical_formula_weight         1013.70
_chemical_name_systematic
;
Bis(2-phenyl-4,6-di-2-pyridyl-1,3,5-triazine-
\k^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^)ruthenium(II)
bis(hexafluoridophosphate)
;
_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_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                 91.774(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0995(3)
_cell_length_b                   32.5979(11)
_cell_length_c                   13.1451(5)
_cell_measurement_reflns_used    7650
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      52.945
_cell_measurement_theta_min      4.649
_cell_volume                     3897.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997)
;
_computing_publication_material  'publCIF (Westrip, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0602
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            75901
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.56
_diffrn_reflns_theta_min         2.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.588
_exptl_absorpt_correction_T_max  0.950000
_exptl_absorpt_correction_T_min  0.821841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.547
_refine_diff_density_min         -0.565
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         8114
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0271
_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^)+(0.0562P)^2^+0.5007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0664
_reflns_number_gt                6511
_reflns_number_total             8114
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2423.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2217302
_cod_database_fobs_code          2217302