Crystallography Open Database

Information card for entry 7039828

Preview

Coordinates	7039828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H58 Au2 Br2 N8 O5
Calculated formula	C52 H52 Au2 Br2 N8 O5
Title of publication	Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.
Authors of publication	Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	30
Pages of publication	12221 - 12236
a	12.9166 ± 0.0003 Å
b	14.7735 ± 0.0003 Å
c	15.8256 ± 0.0003 Å
α	114.049 ± 0.002°
β	95.802 ± 0.002°
γ	109.275 ± 0.002°
Cell volume	2504.04 ± 0.12 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	0.0528
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	0.906
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185328 (current)	2016-08-07	cif/ Updating files of 7039821, 7039822, 7039823, 7039824, 7039825, 7039826, 7039827, 7039828, 7039829, 7039830 Original log message: Adding full bibliography for 7039821--7039830.cif.	7039828.cif
184274	2016-07-07	cif/ Adding structures of 7039821, 7039822, 7039823, 7039824, 7039825, 7039826, 7039827, 7039828, 7039829, 7039830 via cif-deposit CGI script.	7039828.cif