Reactions of [RuCl2(NO)(terpy)]+ (terpy = 2,2' : 6',2″-terpyridine) with mono anions such as NO2–, Br– and N3–, and structural studies on terpyridineruthenium having a nitrosyl ligand
Hirano, Toshiyuki; Ueda, Koji; Mukaida, Masao; Nagao, Hirotaka; Oi, Takao; Journal of the Chemical Society, Dalton Transactions  (2001) 2341–; doi:10.1039/b101546j

data_7010643
_publ_section_title
;
 Reactions of [RuCl2(NO)(terpy)]+
 (terpy&#x00A0;=&#x00A0;2,2'&#x00A0;:&#x00A0;6',2&#x2033;-terpyridine)
 with mono anions such as NO2--, Br-- and N3--, and structural studies
 on terpyridineruthenium having a nitrosyl ligand
;
_journal_issue                   16
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2341
_journal_paper_doi               10.1039/b101546j
_journal_year                    2001
_chemical_formula_sum            'C16 H15 Cl F6 N4 O2.5 P Ru'
_chemical_formula_weight         584.81
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.93(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.254(2)
_cell_length_b                   8.545(2)
_cell_length_c                   24.593(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     2139.1(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9988
_diffrn_measured_fraction_theta_max 0.9988
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            10001
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.816
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1156.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.79
_refine_ls_goodness_of_fit_ref   1.970
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     288
_refine_ls_number_reflns         3728
_refine_ls_R_factor_gt           0.0447
_refine_ls_shift/su_max          0.0116
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00038|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0603
_reflns_number_gt                3728
_reflns_number_total             4907
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b101546j.txt
_cod_data_source_block           '[RuCl(OCH3)(NO)(terpy)]PF6'
_cod_original_formula_sum        'C16 H15 Cl F6 N4 O2.50 P Ru '
_cod_database_code               7010643