Crystallography Open Database

Information card for entry 1572131

Preview

Coordinates	1572131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C246 H303 Au37 P2 S21
Calculated formula	C246 H303 Au37 P2 S21
SMILES	[Au]12345[Au]6789[Au]%10%11%12%13[Au]%14%15%162[Au]2%17%181[Au]1%19%20%21[Au]%22%23%24%25[Au]%26%2772[Au]278%23[Au]8%23%28%29[Au]%30%31%32[Au]%33%343[Au]3%35%361[Au]5%14%17([Au]([S]%13c1ccc(C(C)(C)C)cc1)[S]%36c1ccc(C(C)(C)C)cc1)[S]([Au]1%35[Au]%193([Au]([S]1c1ccc(cc1)C(C)(C)C)[S]([Au][S]%34c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)[S]([Au]1[Au]3%21%25([Au]5%20%24[Au]%22%23%31([Au]%13%28%32([Au]([S]([Au]%146%118[Au]([S]([Au]4%10%30%33)c4ccc(C(C)(C)C)cc4)[S]([Au]46%12%14[Au]8%10%15([Au]94([Au]42([Au]8([S]%27c2ccc(C(C)(C)C)cc2)[S]4c2ccc(C(C)(C)C)cc2)[S]7c2ccc(cc2)C(C)(C)C)([Au]6%10[P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]%29c2ccc(cc2)C(C)(C)C)[S]%16c2ccc(C(C)(C)C)cc2)c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)[S]([Au]%13[S]5c2ccc(cc2)C(C)(C)C)c2ccc(C(C)(C)C)cc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]([Au]3[S]([Au]%26[S]%18c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)[S]1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(C(C)(C)C)cc1
Title of publication	A single-gold-atom addition regulates sharp redshift in the fluorescence of atomically precise nanoclusters.
Authors of publication	Tan, Yesen; Li, Kang; Xu, Jingjing; Li, Qinzhen; Yang, Sha; Chai, Jinsong; Pei, Yong; Jia, Dianzeng; Zhu, Manzhou
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	33
Pages of publication	15663 - 15669
a	23.9232 ± 0.0003 Å
b	26.5335 ± 0.0004 Å
c	26.9468 ± 0.0004 Å
α	107.873 ± 0.001°
β	94.163 ± 0.001°
γ	99.072 ± 0.001°
Cell volume	15942 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294594 (current)	2024-09-06	cif/ Updating files of 1572131 Original log message: Adding full bibliography for 1572131.cif.	1572131.cif
293417	2024-07-16	cif/ Adding structures of 1572131 via cif-deposit CGI script.	1572131.cif