Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors
Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White; Inorganic Chemistry 43 (2004) 2818–2827; doi:10.1021/ic0351895

data_4310912
_publ_contact_author_address
;
   Department of Chemistry
   University of Western Australia
   Crawley  
   Western Australia 6009
   Australia
;
_publ_contact_author_email       bws@crystal.uwa.edu.au
_publ_contact_author_fax         (+61)_08_9380_1118
_publ_contact_author_name        'Skelton, B. W.'
_publ_contact_author_phone       (+61)_08-9380_3481
_publ_section_title
;
 Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II)
 Complexes from Photodecarbonylated Precursors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2818
_journal_page_last               2827
_journal_paper_doi               10.1021/ic0351895
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C22 H18 Cl F6 N4 O3 P Ru'
_chemical_formula_weight         667.90
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 94.48(4)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   8.612(5)
_cell_length_b                   13.314(8)
_cell_length_c                   22.727(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      12.1
_cell_volume                     2598(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXan
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  teXan
_computing_structure_solution    teXan
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device_type
;
   NICOLET diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'single counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .035
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8062
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 197
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .838
_exptl_absorpt_correction_T_max  .747
_exptl_absorpt_correction_T_min  .698
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
 Tompa analytical           
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          .46
_exptl_crystal_size_mid          .43
_exptl_crystal_size_min          .4
_refine_diff_density_max         .89
_refine_diff_density_min         -.74
_refine_ls_goodness_of_fit_ref   2.159
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     342
_refine_ls_number_reflns         4743
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           .0571
_refine_ls_shift/su_max          .0055
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         .0420
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              18
_reflns_limit_k_min              0
_reflns_limit_l_max              31
_reflns_limit_l_min              0
_reflns_number_gt                4743
_reflns_number_observed          4743
_reflns_number_total             7886
_reflns_threshold_expression     'I    > 2.00 sig(I   )'
_cod_data_source_file            ic0351895si20040210_044127_8.cif
_cod_data_source_block           bpydpk
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_formula_sum        'C22 H18 Cl1 F6 N4 O3 P1 Ru1'
_cod_database_code               4310912