Crystallography Open Database

Information card for entry 4327282

Preview

Coordinates	4327282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H108 Ag11 I3 O12 P6 Se13
Calculated formula	C48 H108 Ag11 I3 O12 P6 Se13
SMILES	[Ag]12[Se]3[Ag]45[I]6[Ag]78[Se]9[Ag]%10%11[I]%12[Ag]%13[Se]%14[Ag]%15([I]1[Ag]1%16[Se]%17[Ag]%18[Se]%19[Ag]6([Se]47%10%151[Ag]%12([Se]8=P%19(O[C@@H](C)CC)O[C@H](C)CC)[Se]%18=P([Se]%13%16)(O[C@H](C)CC)O[C@@H](C)CC)[Se]2=P%17(O[C@H](C)CC)O[C@H](C)CC)[Se](=P3(O[C@@H](C)CC)O[C@H](C)CC)[Ag]([Se]%11=P%14(O[C@H](C)CC)O[C@@H](C)CC)[Se]5=P9(O[C@H](C)CC)O[C@H](C)CC
Title of publication	Selenium-Centered, Undecanuclear Silver Cages Surrounded by Iodo and Dialkyldiselenophosphato Ligands. Syntheses, Structures, and Photophysical Properties
Authors of publication	C. W. Liu; Iu-Jie Shang; Rei-Jen Fu; Ben-Jie Liaw; Ju-Chun Wang; I-Jy Chang
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	2335 - 2340
a	23.398 ± 0.007 Å
b	14.386 ± 0.004 Å
c	30.173 ± 0.009 Å
α	90°
β	99.347 ± 0.004°
γ	90°
Cell volume	10021 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2007
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179375 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/72.	4327282.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327282.cif
60998	2012-06-20	cif/ Adding structures of 4327282 via cif-deposit CGI script.	4327282.cif