Reactions of Ru(CCPh)(PPh3)2Cp* with tetracyanoethene: cycloaddition, formation of unusual η2-CNR complexes and oligomerisation via bridging cyanocarbon ligands
Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.; Journal of the Chemical Society, Dalton Transactions  (2001) 3627–; doi:10.1039/b105131h

data_7010906
_publ_section_title
;
 Reactions of Ru(C&#xE002;CPh)(PPh3)2Cp* with tetracyanoethene:
 cycloaddition, formation of unusual \h2-CNR complexes and
 oligomerisation via bridging cyanocarbon ligands
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3627
_journal_paper_doi               10.1039/b105131h
_journal_year                    2001
_chemical_formula_sum            'C81 H78 N12 O3 Ru3'
_chemical_formula_weight         1570.81
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_symmetry_space_group_name_H-M   'P n a 21'
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_cell_measurement_reflns_used    7319
_cell_measurement_temperature    150
_cell_measurement_theta_max      24.4
_cell_measurement_theta_min      2.8
_cell_volume                     7552.1(13)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
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_diffrn_measurement_device_type
;
Bruker SMART 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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_exptl_absorpt_coefficient_mu    .648
_exptl_absorpt_correction_T_max  .81
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            dark_orange
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_exptl_crystal_description       block
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_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .12
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_refine_ls_abs_structure_details 'Flack xabs refined'
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_refine_ls_R_factor_gt           .045
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         .044
_reflns_d_resolution_high        .583
_reflns_d_resolution_low         10.581
_reflns_Friedel_coverage         .968
_reflns_limit_h_max              47
_reflns_limit_h_min              0
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_reflns_limit_k_min              0
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_reflns_limit_l_min              0
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_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b105131h.txt
_cod_data_source_block           br759
_cod_original_sg_symbol_Hall     p_2c_-2n
_cod_original_sg_symbol_H-M      P_n_a_21
_cod_database_code               7010906