Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0): Ligand Effects on Regio-/Stereoselectivity and Reactivity.
Giffin, Kaitie A.; Pua, Lorraine A.; Piotrkowski, Sarah; Gabidullin, Bulat M.; Korobkov, Ilia; Hughes, Russell P.; Baker, R. Tom; Journal of the American Chemical Society 139 (2017) 4075–4086; doi:10.1021/jacs.6b12607

data_4125886
_publ_section_title
;
 Generation of Hydrofluoronickelacycles from Trifluoroethylene and Ni(0):
 Ligand Effects on Regio-/Stereoselectivity and Reactivity.
;
_journal_issue                   11
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4075
_journal_page_last               4086
_journal_paper_doi               10.1021/jacs.6b12607
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C20 H40 F12 Ni2 P4'
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_space_group_name_Hall           '-C 2yc'
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_cell_measurement_theta_max      28.34
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         2.540
_diffrn_source                   'sealed X-ray tube'
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_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            yellow
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_refine_ls_R_factor_all          0.0584
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1196P)^2^+5.8085P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             1910
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           tb137
_cod_original_cell_volume        1530.11(7)
_cod_database_code               4125886
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.658
_shelx_estimated_absorpt_t_max   0.782
_shelx_res_checksum              90119
_shelx_hkl_checksum              15242