Crystallography Open Database

Information card for entry 7241316

Preview

Coordinates	7241316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C280 H294 Ag32 Au12 P4 S26
Calculated formula	C280 H294 Ag32 Au12 P4 S26
SMILES	[Au]12345[Au]678[Au]9%10%11%12[Au]%13%14%15%16[Au]%17%18%19%20[Au]%21%221[Au]12%17[Au]2%17%233[Au]3%24%25%18[Au]%18%26%279[Au]9%11%133[Ag]3%11%13%28[Ag]%29%30%20[Ag]%20%31%16[Ag]%16%32%33%34[Ag]%35%36%14%22[Au]%1446%10[Ag]46%21[Ag]%10%215[Ag]5([Ag]%22%37%17[Ag]%17%38%39%40[Ag]%41%42%43([Ag]%44%45%46%17[Ag]%17%15%14([Ag]%14([Ag]%15%12([Ag]7%18([S]7([Ag]%12%18%47[Ag]%4882%26[Ag]28%26([Ag]%49([S]5([Ag]5%50%51%24[Ag]%24%52%53[Ag]%191([S]%10([Ag]1%10([Ag]%35([S]%201c1c(cccc1)CC)([S]4%10c1c(cccc1)CC)[S]%32%36c1c(cccc1)CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1)CC)[S]%52([Ag]1%24([Ag]%11([S]%13([Ag]%2593[S]%15([Ag]7%12([S]%47([Ag]%23%2725[S]%26%49%50c2c(cccc2)CC)c2c(cccc2)CC)[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(cccc2)CC)c2c(cccc2)CC)([S]1c1c(cccc1)CC)[S]%51%53c1c(cccc1)CC)[S]%28%30c1c(cccc1)CC)c1c(cccc1)CC)c1c(cccc1)CC)([S]%228c1c(cccc1)CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]%18%48c1c(cccc1)CC)c1c(cccc1)CC)[S]%45([Ag]%38%41%44([S]%37%39c1c(cccc1)CC)[S]%42c1c(cccc1)CC)c1c(cccc1)CC)[S]%14c1c(cccc1)CC)[S]%29([Ag]%16([S]%31%33c1c(cccc1)CC)([S]%34%17c1c(cccc1)CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1)CC)[S]%43%46c1c(cccc1)CC)[S]6%40c1c(cccc1)CC)[S]%21c1c(cccc1)CC
Title of publication	The positional isomerism in the bimetal nanocluster
Authors of publication	He, Lizhong; He, Xinhai; wang, junbo; qu, yinhu; Su, Xiaolei; zheng, jioajiao; zhao, xiaoliang
Journal of publication	CrystEngComm
Year of publication	2020
a	21.071 ± 0.003 Å
b	21.271 ± 0.003 Å
c	36.786 ± 0.005 Å
α	80.137 ± 0.004°
β	82.278 ± 0.004°
γ	78.032 ± 0.004°
Cell volume	15807 ± 4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1697
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.2516
Weighted residual factors for all reflections included in the refinement	0.3022
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
256816 (current)	2020-09-29	cif/ Adding structures of 7241316 via cif-deposit CGI script.	7241316.cif