Crystallography Open Database

Information card for entry 7702989

Preview

Coordinates	7702989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H240 Au6 Cu10 N12 O3 S8
Calculated formula	C174 H240 Au6 Cu10 N12 O3 S8
Title of publication	Preparation and luminescence properties of a M<sub>16</sub> heterometallic coinage metal chalcogenide cluster.
Authors of publication	Polgar, Alexander M.; Franzke, Yannick J.; Lebedkin, Sergei; Weigend, Florian; Corrigan, John F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	593 - 597
a	28.6657 ± 0.0008 Å
b	28.6657 ± 0.0008 Å
c	52.375 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	37272 ± 2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247743 (current)	2020-02-04	cif/ Updating files of 7702989 Original log message: Adding full bibliography for 7702989.cif.	7702989.cif
245300	2019-12-18	cif/ Adding structures of 7702989 via cif-deposit CGI script.	7702989.cif