Crystallography Open Database

Information card for entry 1516730

Preview

Coordinates	1516730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Cu4 I4 N2 P2
Calculated formula	C34 H28 Cu4 I4 N2 P2
SMILES	[n]12c(cccc1)[P](c1ccccc1)(c1ccccc1)[Cu]1345[I]67[Cu]89([I][Cu]2468)([I]3)[Cu]57([n]2c(cccc2)[P]9(c2ccccc2)c2ccccc2)[I]1
Title of publication	Mechanochemical preparation of copper iodide clusters of interest for luminescent devices.
Authors of publication	Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario
Journal of publication	Faraday discussions
Year of publication	2014
Journal volume	170
Pages of publication	93 - 107
a	16.7222 ± 0.0003 Å
b	13.9164 ± 0.0003 Å
c	16.4466 ± 0.0003 Å
α	90°
β	99.688 ± 0.002°
γ	90°
Cell volume	3772.75 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0621
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516730.cif
128401	2014-12-06	cif/ Updating files of 1516728, 1516729, 1516730 Original log message: Adding full bibliography for 1516728--1516730.cif.	1516730.cif
118260	2014-06-28	cif/ Adding structures of 1516728, 1516729, 1516730 via cif-deposit CGI script.	1516730.cif