Crystallography Open Database

Information card for entry 1545292

Preview

Coordinates	1545292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12
Calculated formula	C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12
SMILES	[Ag]12[S]3([Ag]45[S]6([Ag]7[S]8([Ag]93[O]3[Ag]%10%11[S]%12([Ag]%13[P](c%14ccccc%14)(c%14ccccc%14)[c]%14%15[Fe]%16%17%18%19%20%21%22([cH]%14[cH]%16[cH]%17[cH]%15%18)[c]%14([cH]%19[cH]%20[cH]%21[cH]%22%14)[P]([Ag]%14[S]%15([Ag]%16[S]%17([Ag]([P]([c]%18%19[cH]%20[Fe]%21%22%23%24%25%26%18([cH]%18[c]%21([P]1(c1ccccc1)c1ccccc1)[cH]%22[cH]%23[cH]%24%18)[cH]%20[cH]%25[cH]%19%26)(c1ccccc1)c1ccccc1)[O]9=[Mo](=O)([O]%11[Ag]8[P](c1ccccc1)(c1ccccc1)[c]18[cH]9[Fe]%11%18%19%20%21%221([cH]8[cH]%18[cH]9%11)[c]1([cH]%22[cH]%21[cH]%20[cH]%191)[P]([Ag]1[S]%10([Ag]89[S]%10([Ag]%11%12[O]%14=[Mo]%12(=O)[O]%14[Ag]%10[P](c%10ccccc%10)(c%10ccccc%10)[c]%10%18[Fe]%19%20%21%22%23%24%25([cH]%10[cH]%19[cH]%20[cH]%18%21)[c]%10([cH]%22[cH]%23[cH]%24[cH]%25%10)[P]([Ag]%10[S]%18([Ag]%14[S]%14%19([Ag]%20[P]([c]%21%22[cH]%23[Fe]%24%25%26%27%28%29%21([cH]%23[cH]%24[cH]%22%25)[cH]%21[c]%26([cH]%27[cH]%28[cH]%29%21)[P]([Ag]%21%14[S]([Ag]%15[O]%12%20)([Ag]%12%17[O]%144[Ag]4%19[S]%15([Ag]([P]([c]%17%19[cH]%20[Fe]%22%23%24%25%26%27%17([cH]%19[cH]%22[cH]%20%23)[cH]%17[cH]%24[c]%25([cH]%26[cH]%27%17)[P]([Ag]6[O]([Ag]%18%15[O]8=[Mo]3%14=[O]%11)[Mo](=[O]71)(=O)[O]9%10)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]5=[Mo]([O]%214)(=O)[O]2%12)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1)[O]%13%16)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C.N#CC
Title of publication	Anion-templated nanosized silver clusters protected by mixed thiolate and diphosphine.
Authors of publication	Li, Xiao-Yu; Wang, Zhi; Su, Hai-Feng; Feng, Sheng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
Journal of publication	Nanoscale
Year of publication	2017
Journal volume	9
Journal issue	10
Pages of publication	3601 - 3608
a	22.7887 ± 0.0018 Å
b	27.962 ± 0.002 Å
c	33.377 ± 0.003 Å
α	69.6918 ± 0.0007°
β	88.7509 ± 0.0008°
γ	84.346 ± 0.0008°
Cell volume	19848 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1181
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
195146 (current)	2017-04-05	cif/ Updating files of 1545292 Original log message: Adding full bibliography for 1545292.cif.	1545292.cif
192264	2017-02-18	cif/ Adding structures of 1545292 via cif-deposit CGI script.	1545292.cif