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_7116317
_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         'C15 H10 Au Cl2 N'
_chemical_formula_sum            'C15 H10 Au Cl2 N'
_chemical_formula_weight         472.11
_chemical_name_systematic        (naphtylpyridine)golddichloride
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_audit_update_record
;
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)
;
_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)
;
_computing_data_reduction
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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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_diffrn_reflns_theta_max         33.026
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_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    11.482
_exptl_absorpt_correction_T_max  1.00000
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_exptl_absorpt_correction_type   multi-scan
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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.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.365
_exptl_crystal_description       plate
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dmso'
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_refine_diff_density_max         2.197
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0292P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0540
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3816
_reflns_number_total             4396
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc07962k2.cif
_cod_data_source_block           shelxl
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_cod_database_code               7116317
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_shelx_res_checksum              52378
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