(Nitro-κ<i>N</i>)[2-(phenyldiazenyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>](2,2':6',2''-terpyridine-κ^3^<i>N</i>)ruthenium(II) tetrafluoroborate
Hansongnern, Kanidtha; Saeteaw, Uraiwan; Cheng, Jack; Liao, Fen-Ling; Lu, Tian-Huey; Acta Crystallographica Section C 57 (2001) 895–896; doi:10.1107/S0108270101007715

data_2012170
_publ_section_title
;(Nitro-\k<i>N</i>)[2-(phenyldiazenyl-\k<i>N</i>^2^)pyridine-\k<i>N</i>](2,2':6',2''-terpyridine-\k^3^<i>N</i>)ruthenium(II)
 tetrafluoroborate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              895
_journal_page_last               896
_journal_paper_doi               10.1107/S0108270101007715
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Ru (C11 H9 N3) (C15 H11 N3) (N O2)] B F4'
_chemical_formula_moiety         'C26 H20 N7 O2 Ru + , B F4 -'
_chemical_formula_sum            'C26 H20 B F4 N7 O2 Ru'
_chemical_formula_weight         650.37
_chemical_name_systematic
;
(Nitro-\kN)[2-(phenyldiazenyl-\kN^2^)pyridine-\kN]
(2,2',6',2''-terpyridine-\k^3^N)ruthenium(II) tetrafluoroborate
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 95.948(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.2347(13)
_cell_length_b                   9.6814(13)
_cell_length_c                   14.588(2)
_cell_measurement_reflns_used    8214
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.10
_cell_volume                     1297.2(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SHELXTL (Bruker, 1999)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full .954
_diffrn_measured_fraction_theta_max .954
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .036
_diffrn_reflns_av_sigmaI/netI    .032
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7966
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    .673
_exptl_absorpt_correction_T_max  .916
_exptl_absorpt_correction_T_min  .788
_exptl_absorpt_correction_type   \y-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             652
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .2
_refine_diff_density_max         .42
_refine_diff_density_min         -.34
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   -.06(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4727
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          .029
_refine_ls_R_factor_gt           .027
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0468P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .068
_reflns_number_gt                4484
_reflns_number_total             4727
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            vj1141.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               2012170
_cod_database_fobs_code          2012170