Mixed er-NHC/phosphine Pd(ii) complexes and their catalytic activity in the Buchwald-Hartwig reaction under solvent-free conditions.
Ageshina, Alexandra A.; Sterligov, Grigorii K.; Rzhevskiy, Sergey A.; Topchiy, Maxim A.; Chesnokov, Gleb A.; Gribanov, Pavel S.; Melnikova, Elizaveta K.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Bermeshev, Maxim V.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 3447–3452; doi:10.1039/c9dt00216b

data_7049010
_publ_section_title
;
 Mixed er-NHC/phosphine Pd(ii) complexes and their catalytic activity in
 the Buchwald-Hartwig reaction under solvent-free conditions.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3447
_journal_page_last               3452
_journal_paper_doi               10.1039/c9dt00216b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C54 H75 Cl2 N2 O2 P Pd'
_chemical_formula_sum            'C54 H75 Cl2 N2 O2 P Pd'
_chemical_formula_weight         992.43
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_space_group_IT_number           2
_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_creation_method           SHELXL-2014/6
_audit_update_record
;
2018-12-05 deposited with the CCDC.    2019-02-13 downloaded from the CCDC.
;
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_cell_measurement_temperature    120(2)
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_cell_measurement_theta_min      3
_cell_volume                     5411.6(13)
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_computing_structure_solution    'APEX2 (Bruker, 2005)'
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_diffrn_measurement_device_type  'Bruker APEX2 DUO CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0774
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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^)+(0.0518P)^2^+0.9452P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                18359
_reflns_number_total             26014
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7049010--7049011.cif.'
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