Crystallography Open Database

Information card for entry 7039829

Preview

Coordinates	7039829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H56 Au2 Br2 N8 O2
Calculated formula	C54 H54 Au2 Br2 N8 O2
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	16.5234 ± 0.0002 Å
b	17.3329 ± 0.0002 Å
c	33.2686 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9528.08 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0576
Goodness-of-fit parameter for all reflections included in the refinement	0.846
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.	7039829.cif
184274	2016-07-07	cif/ Adding structures of 7039821, 7039822, 7039823, 7039824, 7039825, 7039826, 7039827, 7039828, 7039829, 7039830 via cif-deposit CGI script.	7039829.cif