Crystallography Open Database

Information card for entry 7702600

Preview

Coordinates	7702600.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CORTADO
Formula	C62 H30 Au2 F30 Fe N2 S2
Calculated formula	C62 H16 Au2 F30 Fe N2 S2
Title of publication	1,1′-Bis(2-pyridylthio)ferrocene: a new ligand in gold and silver chemistry
Authors of publication	Barranco, Eva M.; Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio; Sarroca, Cristina
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	17
Pages of publication	2523
a	9.2447 ± 0.0016 Å
b	12.7873 ± 0.0018 Å
c	13.5004 ± 0.0018 Å
α	82.283 ± 0.01°
β	78.168 ± 0.012°
γ	74.357 ± 0.01°
Cell volume	1498.9 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for all reflections	0.0763
Weighted residual factors for significantly intense reflections	0.0738
Goodness-of-fit parameter for all reflections	0.956
Goodness-of-fit parameter for significantly intense reflections	1.022
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
243919 (current)	2019-11-28	cif/ Adding structures of 7702599, 7702600, 7702601 via cif-deposit CGI script.	7702600.cif