Fundamental organometallic chemistry under bimetallic influence: driving β-hydride elimination and diverting migratory insertion at Cu and Ni.
Mazzacano, Thomas J.; Leon, Noel J.; Waldhart, Greyson W.; Mankad, Neal P.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 5518–5521; doi:10.1039/c6dt04533b

data_7041441
_publ_section_title
;
 Fundamental organometallic chemistry under bimetallic influence: driving
 \b-hydride elimination and diverting migratory insertion at Cu and Ni.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5518
_journal_page_last               5521
_journal_paper_doi               10.1039/c6dt04533b
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C30 H44 Ni O5 P2 W'
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_chemical_name_common            tBuPOCOPNiWp_Noel
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2016-11-22 deposited with the CCDC.
2016-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                103.562(3)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200.(2)
_diffrn_detector_area_resol_mean 8.3330
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_diffrn_measurement_device_type  'Bruker SMART X2S benchtop'
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_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_crystal_colour            'translucent light orange'
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.1729P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1170
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt04533b2.cif
_cod_data_source_block           tBuPOCOPNiWp_Noel
_cod_depositor_comments          'Adding full bibliography for 7041441.cif.'
_cod_database_code               7041441
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