Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands
Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White; Inorganic Chemistry 43 (2004) 683–691; doi:10.1021/ic0348401

data_4310413
_publ_contact_author_address
;
   Department of Chemistry
   University of Western Australia
   35 Stirling Highway
   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
;
 Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands
 and Unexpected Cyclometalation of Carboxylate Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              683
_journal_page_last               691
_journal_paper_doi               10.1021/ic0348401
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C22 H16 N2 O5 Ru'
_chemical_formula_weight         489.45
_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'
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_cell_angle_alpha                90.00000
_cell_angle_beta                 97.11(3)
_cell_angle_gamma                90.00000
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_cell_length_b                   10.7983(2)
_cell_length_c                   20.1286(6)
_cell_measurement_temperature    123(2)
_cell_volume                     1880.13(15)
_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'
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;
  Enraf Nonius \K CCD   diffractometer
;
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  .047
_diffrn_reflns_av_sigmaI/netI    .089
_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_k_max       13
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_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.02
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .873
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
 ?                            
;
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_F_000             984
_refine_diff_density_max         .836
_refine_diff_density_min         -.711
_refine_ls_extinction_coef       2247(371)
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.031
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    noref
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_refine_ls_R_factor_all          .066
_refine_ls_R_factor_gt           .04
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         .042
_reflns_d_resolution_high        .75
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_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              14
_reflns_limit_k_min              0
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_reflns_limit_l_min              -26
_reflns_number_gt                3371
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_reflns_threshold_expression     'I    > 2.00 sig(I   )'
_cod_data_source_file            ic0348401si20031112_114047_4.cif
_cod_data_source_block           ruphph
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_formula_sum        'C22 H16 N2 O5 Ru1'
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