Crystallography Open Database

Information card for entry 7707949

Preview

Coordinates	7707949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H84 Au4 O2 P4 S4
Calculated formula	C96 H84 Au4 O2 P4 S4
Title of publication	A dynamic tetranuclear gold(i)-cyclophane - gold(i)-centred chirality and fluxionality arising from an intramolecular shift of Au-S bonds.
Authors of publication	Ang, Pau Lin; Nguyen, Van Ha; Yip, John H. K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	33
Pages of publication	11422 - 11428
a	12.855 ± 0.0006 Å
b	13.054 ± 0.0007 Å
c	13.8019 ± 0.0007 Å
α	109.225 ± 0.0016°
β	99.632 ± 0.0017°
γ	100.931 ± 0.0016°
Cell volume	2080.26 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
268746 (current)	2021-09-06	cif/ Updating files of 7707949 Original log message: Adding full bibliography for 7707949.cif.	7707949.cif
267952	2021-08-05	cif/ Adding structures of 7707949 via cif-deposit CGI script.	7707949.cif