Hydrogen bonding to metals as a probe for an inverted ligand field.
Pérez-Bitrián, Alberto; Baya, Miguel; Casas, José M; Martín, Antonio; Menjón, Babil; Dalton transactions (Cambridge, England : 2003) 50 (2021) 5465–5472; doi:10.1039/d1dt00597a

data_7706883
_publ_section_title
;
 Hydrogen bonding to metals as a probe for an inverted ligand field.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5465
_journal_page_last               5472
_journal_paper_doi               10.1039/d1dt00597a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C13 H9 Au F9 N'
_chemical_formula_sum            'C13 H9 Au F9 N'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2020-10-22 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'translucent colourless'
_exptl_crystal_density_diffrn    2.505
_exptl_crystal_description       prism
_exptl_crystal_F_000             1016
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3341
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_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0204
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0159P)^2^+2.2805P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0403
_refine_ls_wR_factor_ref         0.0413
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3086
_reflns_number_total             3341
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00597a3.cif
_cod_data_source_block           6_AMT1222
_cod_depositor_comments
'Adding full bibliography for 7706881--7706885.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7706883
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              14856