Crystallography Open Database

Information card for entry 7708237

Preview

Coordinates	7708237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H54 Au2 F6 N2 O6 P2 S2
Calculated formula	C56 H54 Au2 F6 N2 O6 P2 S2
SMILES	[Au]([n]1ccc(cc1c1[n]([Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)ccc(c1)C(C)(C)C)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]S(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Intramolecular aurophilic interactions in dinuclear gold(I) complexes with twisted bridging 2,2'-bipyridine ligands.
Authors of publication	Shmelev, Nikita Y.; Okubazghi, Tesfu H.; Abramov, Pavel A.; Komarov, Vladislav Y.; Rakhmanova, Mariana I.; Novikov, Alexander S.; Gushchin, Artem L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	36
Pages of publication	12448 - 12456
a	13.399 ± 0.003 Å
b	20.709 ± 0.004 Å
c	20.441 ± 0.004 Å
α	90°
β	90.35 ± 0.03°
γ	90°
Cell volume	5672 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269722 (current)	2021-10-06	cif/ Updating files of 7708233, 7708234, 7708235, 7708236, 7708237 Original log message: Adding full bibliography for 7708233--7708237.cif.	7708237.cif
269038	2021-09-08	cif/ Adding structures of 7708233, 7708234, 7708235, 7708236, 7708237 via cif-deposit CGI script.	7708237.cif