Crystallography Open Database

Information card for entry 7715306

Preview

Coordinates	7715306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Au N2 P S
Calculated formula	C24 H18 Au N2 P S
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc2nsnc12
Title of publication	Access to long-lived room temperature phosphorescence through auration of 2,1,3-benzothiadiazole.
Authors of publication	Posada Urrutia, Mauricio; Kaul, Nidhi; Kaper, Tobias; Hurrell, Dustin; Chiang, Linus; Wells, Jordann A. L.; Orthaber, Andreas; Hammarström, Leif; Pilarski, Lukasz T.; Dyrager, Christine
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	12
Pages of publication	5658 - 5664
a	8.496 ± 0.0004 Å
b	11.3452 ± 0.0006 Å
c	21.66 ± 0.0011 Å
α	90°
β	97.82 ± 0.001°
γ	90°
Cell volume	2068.37 ± 0.18 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
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	0.016
Residual factor for significantly intense reflections	0.0137
Weighted residual factors for significantly intense reflections	0.0317
Weighted residual factors for all reflections included in the refinement	0.0323
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290984 (current)	2024-04-05	cif/ Updating files of 7715304, 7715305, 7715306, 7715307, 7715308 Original log message: Adding full bibliography for 7715304--7715308.cif.	7715306.cif
290005	2024-02-29	cif/ Adding structures of 7715304, 7715305, 7715306, 7715307, 7715308 via cif-deposit CGI script.	7715306.cif