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_4307131
_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         'C20 H21 Cl F6 N5 O2 P Ru '
_chemical_formula_sum            'C20 H21 Cl F6 N5 O2 P Ru'
_chemical_formula_weight         644.91
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 106.2300(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.600(2)
_cell_length_b                   17.042(3)
_cell_length_c                   13.817(3)
_cell_measurement_reflns_used    7085
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2396.5(8)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9205
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.908
_exptl_absorpt_correction_T_max  0.938
_exptl_absorpt_correction_T_min  0.853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1288.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.45
_refine_diff_density_min         -0.92
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     346
_refine_ls_number_reflns         5239
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.0025
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1033
_reflns_number_gt                4685
_reflns_number_total             5239
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic061644wsi20060830_091158_2.cif
_cod_data_source_block
'__trans(NO,OC3H7),_cis(Cl,_OC3H7)-[RuCl(OC3H7)(NO)(terpy)]PF6_CH3CN'
_cod_original_formula_sum        'C20 H21 Cl F6 N5 O2 P Ru '
_cod_database_code               4307131