Crystallography Open Database

Information card for entry 1545006

Preview

Coordinates	1545006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C252 H330 Ag28 P4 Pt S18
Calculated formula	C252 H330 Ag28 P4 Pt S18
SMILES	[Ag]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]3([Ag]45[Ag]6([S]5C57CC8CC(C5)CC(C7)C8)[S]57([Ag]8([P](c9ccccc9)(c9ccccc9)c9ccccc9)[S]9([Ag]%105[Ag]5([S]%11%12([Ag]%13([P](c%14ccccc%14)(c%14ccccc%14)c%14ccccc%14)[S]%14([Ag]%15%16[Ag]%17([S]%181([Ag]1[Ag]%19([Ag]%20%21%22%23%24[Ag]%25%26%27%18[Ag]%18%28%29([Ag]3%30%31%26[Ag]3%26%32%33%23[Ag]%23%34[Ag]([S]%34C%34%35CC%36CC(C%34)CC(C%35)C%36)[S]68([Ag]68%31%26[Ag]%26%317%29[Ag]7%29%18([Ag]%18%14%21%27[Ag]%14%21%127[Ag]7%12%223([Ag]3([Ag]%11[S]3C3%11CC%22CC(C3)CC(C%11)C%22)[S]%12([Ag]([P](c3ccccc3)(c3ccccc3)c3ccccc3)([S]%32%23C3%11CC%12CC(C3)CC(C%11)C%12)[S]%19%20C3%11CC%12CC(C3)CC(C%11)C%12)C3%11CC%12CC(C3)CC(C%11)C%12)[Ag]96%26%14[Pt]%24%25%28%30%338%31%29%18%217)[S]5%13%16C35CC6CC(CC(C3)C6)C5)C35CC6CC(C3)CC(C5)C6)[S]24%17C23CC4CC(C2)CC(C3)C4)[S]1C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)[S]%15C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)[S]%10C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3
Title of publication	The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster
Authors of publication	Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	4
Pages of publication	2581
a	50.8135 ± 0.0018 Å
b	29.3497 ± 0.0008 Å
c	49.1614 ± 0.0016 Å
α	90°
β	110.274 ± 0.004°
γ	90°
Cell volume	68775 ± 4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194995 (current)	2017-04-05	cif/ Updating files of 1545006 Original log message: Adding full bibliography for 1545006.cif.	1545006.cif
189931	2017-01-06	cif/ Adding structures of 1545006 via cif-deposit CGI script.	1545006.cif