Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.
Feuerstein, Wolfram; Breher, Frank; Dalton transactions (Cambridge, England : 2003) 50 (2021) 9754–9767; doi:10.1039/d1dt00953b

data_7707639
_publ_section_title
;
 Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by
 intramolecular oxidative addition of biphenylenes - an experimental and
 quantum chemical study.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9754
_journal_page_last               9767
_journal_paper_doi               10.1039/d1dt00953b
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C30 H24 Au N P, F6 Sb'
_chemical_formula_sum            'C30 H24 Au F6 N P Sb'
_chemical_formula_weight         862.19
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
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Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
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2020-07-22 deposited with the CCDC.	2021-06-09 downloaded from the CCDC.
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_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
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_diffrn_reflns_theta_min         1.975
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'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
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'Stoe & Cie, X-RED, version 1.28b: Program for data reduction and absorptioncorrection, Stoe &CieGmbH, Darmatadt, Germany, 2005.'
_exptl_crystal_colour            colourless
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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^)+(0.0655P)^2^+3.1739P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
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_reflns_number_gt                4557
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7707636--7707640.cif.'
_cod_database_code               7707639
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_max   0.377
_shelx_estimated_absorpt_t_min   0.377
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C22(H22), C9(H9), C30(H30), C21(H21), C25(H25), C15(H15), C19(H19),
 C29(H29), C24(H24), C18(H18), C23(H23), C16(H16), C2(H2), C3(H3), C4(H4),
 C10(H10), C11(H11), C28(H28), C17(H17), C26(H26), C27(H27)
;
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_olex2_submission_special_instructions 'No special instructions were received'