Crystallography Open Database

Information card for entry 7039824

Preview

Coordinates	7039824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Br2 N4 O
Calculated formula	C27 H29 Br2 N4 O
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	9.578 ± 0.002 Å
b	22.0948 ± 0.0017 Å
c	13.56 ± 0.002 Å
α	90°
β	90.175 ± 0.017°
γ	90°
Cell volume	2869.6 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1052
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.228
Weighted residual factors for all reflections included in the refinement	0.2403
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	7039824.cif
184274	2016-07-07	cif/ Adding structures of 7039821, 7039822, 7039823, 7039824, 7039825, 7039826, 7039827, 7039828, 7039829, 7039830 via cif-deposit CGI script.	7039824.cif