Synthesis of Nitrosylruthenium Complexes Containing 2,2':6',2''-Terpyridine by Reactions of Alkoxo Complexes with Acids
Hirotaka Nagao; Keiji Enomoto; Yuuki Wakabayashi; Gen Komiya; Toshiyuki Hirano; Takao Oi; Inorganic Chemistry 46 (2007) 1431–1439; doi:10.1021/ic061644w

data_4307132
_publ_section_title
;
Synthesis of Nitrosylruthenium Complexes Containing
2,2':6',2''-Terpyridine by Reactions of Alkoxo Complexes with
Acids
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1431
_journal_page_last               1439
_journal_paper_doi               10.1021/ic061644w
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C16 H11 Cl2 F3 N4 O4 S Ru '
_chemical_formula_sum            'C16 H11 Cl2 F3 N4 O4 Ru S'
_chemical_formula_weight         584.32
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.0868(5)
_cell_length_b                   9.2038(5)
_cell_length_c                   27.511(2)
_cell_measurement_reflns_used    3717
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.7
_cell_volume                     2047.6(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9798
_diffrn_measured_fraction_theta_max 0.9798
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            21505
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.188
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.895
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1152.00
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.42
_refine_diff_density_min         -1.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     291
_refine_ls_number_reflns         4609
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1160
_reflns_number_gt                4046
_reflns_number_total             4609
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic061644wsi20060830_091158_3.cif
_cod_data_source_block
'__trans(NO,_Cl),_cis(Cl,_Cl)-[RuCl2(NO)(terpy)]CF3SO3'
_cod_original_formula_sum        'C16 H11 Cl2 F3 N4 O4 S Ru '
_cod_database_code               4307132