Metal controlled regioselectivity in the cyclometallation of 2-(1-naphthyl)-pyridine
Mikhail Kondrashov; Sudarkodi Raman; Ola F. Wendt; Chem.Commun. 51 (2015) 911–; doi:10.1039/C4cc07962K

data_7116318
_publ_section_title
;
 Metal controlled regioselectivity in the cyclometallation of
 2-(1-naphthyl)-pyridine
;
_journal_name_full               Chem.Commun.
_journal_page_first              911
_journal_paper_doi               10.1039/C4cc07962K
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C20 H15 Cl N2 Pd'
_chemical_formula_sum            'C20 H15 Cl N2 Pd'
_chemical_formula_weight         425.19
_chemical_name_systematic        (naphtylpyridine)(pyridine)palladiumchloride
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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;
2014-09-05 deposited with the CCDC.
2014-11-26 downloaded from the CCDC.
;
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
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_computing_data_collection
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CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
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'SHELXL-2013 (Sheldrick, 2013) and WinGX (Farrugia,1999)'
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.716
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'Re-crystallisation from solvent: DCM-pentane'
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0372P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0671
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2952
_reflns_number_total             3491
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc07962k2.cif
_cod_data_source_block           shelx_1
_cod_original_cell_volume        1645.99(16)
_cod_database_code               7116318
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