A modular, air-stable nickel precatalyst.
Shields, Jason D.; Gray, Erin E.; Doyle, Abigail G.; Organic letters 17 (2015) 2166–2169; doi:10.1021/acs.orglett.5b00766

data_1520303
_publ_section_title
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 A modular, air-stable nickel precatalyst.
;
_journal_issue                   9
_journal_name_full               'Organic letters'
_journal_page_first              2166
_journal_page_last               2169
_journal_paper_doi               10.1021/acs.orglett.5b00766
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C13 H23 Cl N2 Ni'
_chemical_formula_weight         301.49
_chemical_name_systematic
; 
 ? 
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_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.363(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1164(6)
_cell_length_b                   12.6843(7)
_cell_length_c                   11.5897(7)
_cell_measurement_temperature    100(2)
_cell_volume                     1438.02(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0141
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            66220
_diffrn_reflns_theta_full        34.33
_diffrn_reflns_theta_max         34.33
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    1.516
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             640
_refine_diff_density_max         2.051
_refine_diff_density_min         -0.621
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.394
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     159
_refine_ls_number_reflns         6024
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.394
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.277
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0379P)^2^+1.5888P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1258
_reflns_number_gt                5316
_reflns_number_total             6024
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol5b00766_si_002.cif
_cod_data_source_block           mo_pdjjs1a_0m
_cod_original_cell_volume        1438.01(14)
_cod_database_code               1520303