Crystallography Open Database

Information card for entry 7715100

Preview

Coordinates	7715100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H13 Au Cl10 N3 S Tl
Calculated formula	C31 H13 Au Cl10 N3 S Tl
Title of publication	Terpyridine isomerism as a tool for tuning red-to-NIR emissive properties in heteronuclear gold(I)-thallium(I) complexes.
Authors of publication	Royo, David; Moreno, Sonia; Rodríguez-Castillo, María; Monge, Miguel; Olmos, M. Elena; Zubkov, Fedor I.; Pronina, Anastasia A.; Mahmoudi, Ghodrat; López-de-Luzuriaga, José M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	10
Pages of publication	4652 - 4661
a	10.5516 ± 0.0008 Å
b	10.9165 ± 0.0009 Å
c	15.3597 ± 0.0013 Å
α	89.27 ± 0.003°
β	86.508 ± 0.003°
γ	88.089 ± 0.003°
Cell volume	1764.9 ± 0.2 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
290917 (current)	2024-04-05	cif/ Updating files of 7715100, 7715101, 7715102 Original log message: Adding full bibliography for 7715100--7715102.cif.	7715100.cif
289714	2024-02-06	cif/ Adding structures of 7715100, 7715101, 7715102 via cif-deposit CGI script.	7715100.cif