Nucleophilic Additions to Allenylidene Ruthenium Complexes
García de la Arada, Isaac; Díez, Josefina; Gamasa, M. Pilar; Lastra, Elena; Organometallics 34 (2015) 1345–; doi:10.1021/acs.organomet.5b00060

data_4087402
_publ_section_title
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 Nucleophilic Additions to Allenylidene Ruthenium Complexes
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_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1345
_journal_paper_doi               10.1021/acs.organomet.5b00060
_journal_volume                  34
_journal_year                    2015
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C45 H40 O3 P2 Ru, F6 P, 2(C H2 Cl2)'
_chemical_formula_sum            'C47 H44 Cl4 F6 O3 P3 Ru'
_chemical_formula_weight         1106.60
_space_group_crystal_system      triclinic
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_molecular_graphics    'PLATON (Spek, 2008)'
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_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 28.2640
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_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0361
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_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21626
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_diffrn_reflns_theta_full        67.000
_diffrn_reflns_theta_max         74.812
_diffrn_reflns_theta_min         3.572
_diffrn_source                   'Nova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    6.286
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64314
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_exptl_absorpt_process_details
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.292
_exptl_crystal_size_mid          0.258
_exptl_crystal_size_min          0.131
_refine_diff_density_max         4.085
_refine_diff_density_min         -2.063
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0895
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1513P)^2^+14.4929P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2504
_refine_ls_wR_factor_ref         0.2557
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8508
_reflns_number_total             9244
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00060_si_002.cif
_cod_data_source_block           2
_cod_original_cell_volume        2362.67(13)
_cod_database_code               4087402
_shelxl_version_number           2014-3
_shelx_res_checksum              81906
_shelx_hkl_checksum              25289