Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.
Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.; Chemical science 9 (2018) 5435–5440; doi:10.1039/c8sc02072h

data_1549475
_publ_section_title
;
 Room temperature catalytic carbon-hydrogen bond alumination of
 unactivated arenes: mechanism and selectivity.
;
_journal_issue                   24
_journal_name_full               'Chemical science'
_journal_page_first              5435
_journal_page_last               5440
_journal_paper_doi               10.1039/c8sc02072h
_journal_volume                  9
_journal_year                    2018
_chemical_formula_moiety         'C82 H126 Al2 N4 P2 Pd2'
_chemical_formula_sum            'C82 H126 Al2 N4 P2 Pd2'
_chemical_formula_weight         1496.56
_chemical_name_systematic        '[(Mes-BDIAl)HPd(PCy3)]2'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-03-13 deposited with the CCDC.
2018-05-29 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.0382
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_diffrn_measurement_device_type  'Agilent Xcalibur 3 E'
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_diffrn_reflns_Laue_measured_fraction_full 0.985
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_diffrn_reflns_limit_h_min       -16
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; 
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
Empirical absorption correction using spherical harmonics, 
implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Red
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'Re-crystallisation from solvent: Benzene'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0265P)^2^+1.2829P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8sc02072h4.cif
_cod_data_source_block           Pd2Al2
_cod_depositor_comments
'Adding full bibliography for 1549475--1549478.cif.'
_cod_original_cell_volume        1925.07(16)
_cod_database_code               1549475
_shelx_shelxl_version_number     2014/7
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