Crystallography Open Database

Information card for entry 1559983

Preview

Coordinates	1559983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C298 H333 Ag22 B2 Fe3 P6 S12
Calculated formula	C298 H333 Ag22 B2 Fe3 P6 S12
SMILES	[Ag]123456789%10%11[Ag]%12%13%14%15%16[Ag]%17%18%19%201[Ag]1%21%224[Ag]4%23%24%255[Ag]5%26%277[Ag]7%28%293([Ag]3%30%31%322[Ag]6%171([Ag]8%1273[S]1([Ag]2([Ag]%191[S]%20C13CC6CC(C3)CC(C1)C6)([S]%16([Ag]%15%28[S]%29C13CC6CC(C1)CC(C6)C3)C13CC6CC(C1)CC(C3)C6)[P](c1ccccc1)([c]13[cH]6[Fe]78%12%15%16%171([c]1([cH]7[cH]%17[cH]%16[cH]%121)[P]2(c1ccccc1)c1ccccc1)[cH]3[cH]8[cH]6%15)c1ccccc1)C12CC3CC(C2)CC(C1)C3)[S]([Ag]12[Ag]%10%21%235%30[S]2([Ag]21([S]%32([Ag]%31[S]%27C13CC5CC(CC(C1)C5)C3)C13CC5CC(C3)CC(C1)C5)[P]([c]13[Fe]5678%10%12%15([cH]%16[cH]5[cH]8[cH]7[c]6%16[P]2(c2ccccc2)c2ccccc2)[cH]1[cH]%12[cH]%15[cH]3%10)(c1ccccc1)c1ccccc1)C12CC3CC(C1)CC(C2)C3)C12CC3CC(CC(C3)C2)C1)[Ag]1%11%14%26[Ag]9%13%184[S]2([Ag]([Ag]32([S]%25([Ag]%24[S]1C12CC4CC(C1)CC(C2)C4)C12CC4CC(C1)CC(C2)C4)[P](c1ccccc1)(c1ccccc1)[c]12[cH]4[Fe]56789%101([c]1([P]3(c3ccccc3)c3ccccc3)[cH]5[cH]8[cH]6[cH]71)[cH]2[cH]%10[cH]49)[S]%22C12CC3CC(CC(C1)C3)C2)C12CC3CC(C1)CC(C2)C3.c1c(cccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C.c1(ccccc1)C.Cc1ccccc1.c1ccc(cc1)C
Title of publication	New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts
Authors of publication	Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	10
Pages of publication	3660 - 3667
a	21.412 ± 0.0002 Å
b	27.2727 ± 0.0003 Å
c	29.7612 ± 0.0003 Å
α	79.123 ± 0.001°
β	70.493 ± 0.001°
γ	66.956 ± 0.001°
Cell volume	15040.9 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0872
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1974
Weighted residual factors for all reflections included in the refinement	0.2054
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
263677 (current)	2021-04-05	cif/ Updating files of 1559982, 1559983 Original log message: Adding full bibliography for 1559982--1559983.cif.	1559983.cif
260842	2021-01-08	cif/ Adding structures of 1559982, 1559983 via cif-deposit CGI script.	1559983.cif