Example of Highly Stereoregulated Ruthenium Amidine Complex Formation: Synthesis, Crystal Structures, and Spectral and Redox Properties of the Complexes [RuII(trpy){NC5H4CHNN(C6H5)C(CH3)NH}](ClO4)2 (1) and [RuII(trpy)(NC5H4CHNNHC6H5)Cl]ClO4 (2) (trpy = 2,2':6',2''-Terpyridine)
Biplab Mondal; Vedavati G. Puranik; Goutam Kumar Lahiri; Inorganic Chemistry 41 (2002) 5831–5836; doi:10.1021/ic020351+

data_4327532
_publ_section_title
;
 Example of Highly Stereoregulated Ruthenium Amidine Complex Formation:
 Synthesis, Crystal Structures, and Spectral and Redox Properties of the
 Complexes [RuII(trpy){NC5H4CHNN(C6H5)C(CH3)NH}](ClO4)2 (1) and
 [RuII(trpy)(NC5H4CHNNHC6H5)Cl]ClO4 (2) (trpy = 2,2':6',2''-Terpyridine)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5831
_journal_page_last               5836
_journal_paper_doi               10.1021/ic020351+
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         '[C27H23N6ClRu].ClO4.CH2OH'
_chemical_formula_sum            'C28 H26 Cl2 N6 O5 Ru'
_chemical_formula_weight         698.52
_chemical_name_common            'Ruthenium complex'
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 94.317(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.879(2)
_cell_length_b                   25.991(6)
_cell_length_c                   13.059(3)
_cell_measurement_reflns_used    5742
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.3
_cell_measurement_theta_min      2.22
_cell_volume                     3005.1(12)
_computing_cell_refinement       'BRUKER SAINT'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       ' Bruker Smart APEX'
_diffrn_measurement_device_type  ' CCD Area Detector'
_diffrn_measurement_method       'Omega Scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12582
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.747
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.55
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            deep_brown
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.84
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.075
_refine_diff_density_max         0.899
_refine_diff_density_min         -0.766
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.220
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4308
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.220
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0718
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0752P)^2^+7.9838P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1705
_refine_ls_wR_factor_ref         0.1759
_reflns_number_gt                3801
_reflns_number_total             4308
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0203512B_2.cif
_cod_data_source_block           '[C27H22N6ClRu].ClO4.CH3OH'
_cod_original_cell_volume        3004.9(12)
_cod_database_code               4327532