Syntheses, Characterization, and Reactivity of Diruthenium Hydrido Complexes
Wiltse, Heather R.; Johnson, Alyssa N.; Durand, Raphael J.; Brennessel, William; Chin, Robert M.; Organometallics 35 (2016) 1079–; doi:10.1021/acs.organomet.6b00067

data_4086456
_publ_section_title
;
 Syntheses, Characterization, and Reactivity of Diruthenium Hydrido
 Complexes
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1079
_journal_paper_doi               10.1021/acs.organomet.6b00067
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C52 H68 N4 Ru2, 2(C F3 O3 S)'
_chemical_formula_sum            'C54 H68 F6 N4 O6 Ru2 S2'
_chemical_formula_weight         1249.38
_chemical_name_common            unimc22
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_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
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_atom_sites_solution_hydrogens   mixed
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.56
_cell_measurement_theta_min      2.74
_cell_volume                     6236.2(8)
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_diffrn_ambient_temperature      173(2)
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_diffrn_measurement_device_type  'Bruker SMART APEX II CCD platform'
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_diffrn_reflns_theta_min         1.921
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_T_max  0.7465
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_exptl_crystal_colour            orange
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         12191
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0671P)^2^+6.2779P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                8101
_reflns_number_total             12191
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           unimc22
_cod_depositor_comments
'Adding full bibliography for 4086455--4086457.cif.'
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