Crystallography Open Database

Information card for entry 4001542

Preview

Coordinates	4001542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Cu4 O8 P4 Se8
Calculated formula	C24 H56 Cu4 O8 P4 Se8
SMILES	[Cu]12345[Cu]6789[Cu]%10%111([Cu]26([Se]3P(=[Se]7)(OC(C)C)OC(C)C)([Se]=P([Se]5%10)(OC(C)C)OC(C)C)[Se]9P(=[Se]%11)(OC(C)C)OC(C)C)[Se]8P(=[Se]4)(OC(C)C)OC(C)C
Title of publication	[Cu4{Se2P(OiPr)2}4]: A Novel Precursor Enabling Preparation of Nonstoichiometric Copper Selenide (Cu2-xSe) Nanowires
Authors of publication	Hsu, Yung-Jung; Hung, Chiu-Ming; Lin, Yi-Feng; Liaw, Ben-Jie; Lobana, Tarlok S.; Lu, Shih-Yuan; Liu, C. W.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	14
Pages of publication	3323
a	11.692 ± 0.004 Å
b	18.023 ± 0.007 Å
c	11.772 ± 0.005 Å
α	90°
β	90.71 ± 0.02°
γ	90°
Cell volume	2480.5 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001542.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001542.cif
47609	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001542 via cif-deposit CGI script.	4001542.cif