Crystallography Open Database

Information card for entry 4125512

Preview

Coordinates	4125512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C480 H582 Ag50 P12 S30
Calculated formula	C480 H582 Ag50 P12 S30
SMILES	c1(ccc(cc1)C(C)(C)C)C[S]12[Ag]34[Ag]567[Ag]89%10%11[Ag]%12%13%14%15[Ag]%16%173[Ag]3%18%196[Ag]6%20%21[S]%22([Ag]%2359[S]59([Ag]%24%25%10[S]%10([Ag]%265[P](c5ccccc5)(c5ccccc5)C[P]([Ag]9[S](Cc5ccc(cc5)C(C)(C)C)[Ag]%13[S]5([Ag]9[S]%26([Ag]%138[S](Cc8ccc(cc8)C(C)(C)C)[Ag]8[P](c%26ccccc%26)(c%26ccccc%26)C[P]([Ag]%26%27[S]9(Cc9ccc(cc9)C(C)(C)C)[Ag]9[S]([Ag]%28[P](c%29ccccc%29)(C[P]([Ag]5([S](Cc5ccc(cc5)C(C)(C)C)([Ag]17%12)[Ag]%22)[S]%28(Cc1ccc(cc1)C(C)(C)C)[Ag]1%17[Ag]5%14[Ag]7%12%14[S]%17([Ag]%22%285[S]5%29([Ag]%30([S]([Ag]2)([Ag]25[P](c5ccccc5)(c5ccccc5)C[P]([Ag]%29[S](Cc5ccc(cc5)C(C)(C)C)[Ag]5[S]%29([Ag]%31[S]2([Ag]2%19[S](Cc%19ccc(cc%19)C(C)(C)C)[Ag]%19[S]4%20(Cc4ccc(cc4)C(C)(C)C)[Ag]4([S]%21([Ag][S]%24(Cc%20ccc(cc%20)C(C)(C)C)[Ag]%20%21[Ag]6%23[Ag]6%23%185[Ag]%16%28%302[Ag]25%22[Ag]%15%139%14[Ag]%11%25%216[Ag]2([S](Cc2ccc(cc2)C(C)(C)C)([Ag]%235[S](Cc2ccc(cc2)C(C)(C)C)([Ag]2%29[S]%20(Cc5ccc(cc5)C(C)(C)C)[Ag]([S](Cc5ccc(cc5)C(C)(C)C)[Ag]3[S]%314Cc3ccc(cc3)C(C)(C)C)[P](c3ccccc3)(c3ccccc3)C[P]2(c2ccccc2)c2ccccc2)[Ag]%17)[Ag]%10)[S]8%267Cc2ccc(cc2)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)[P](c2ccccc2)(c2ccccc2)C[P]%19(c2ccccc2)c2ccccc2)Cc2ccc(cc2)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)(c2ccccc2)c2ccccc2)Cc2ccc(cc2)C(C)(C)C)[S]1(Cc1ccc(cc1)C(C)(C)C)[Ag][S]%27%12Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)(c1ccccc1)c1ccccc1)c1ccccc1)Cc1ccc(cc1)C(C)(C)C)(c1ccccc1)c1ccccc1)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)(c1ccccc1)c1ccccc1)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C
Title of publication	Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties.
Authors of publication	Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	4
Pages of publication	1618 - 1624
a	26.2512 ± 0.0012 Å
b	26.6936 ± 0.0012 Å
c	26.7376 ± 0.0012 Å
α	76.576 ± 0.002°
β	60.718 ± 0.002°
γ	61.726 ± 0.002°
Cell volume	14392.3 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.093
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.1788
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
193501 (current)	2017-03-04	cif/ Updating files of 4125511, 4125512 Original log message: Adding full bibliography for 4125511--4125512.cif.	4125512.cif
192566	2017-03-01	cif/ Adding structures of 4125512 via cif-deposit CGI script.	4125512.cif