Crystallography Open Database

Information card for entry 4335454

Preview

Coordinates	4335454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 Cu4 I4 P4
Calculated formula	C40 H60 Cu4 I4 P4
SMILES	C(C)(C)[P@@](C)(c1ccccc1)[Cu]12[I]3[Cu]4([P@@](c5ccccc5)(C)C(C)C)[I]1[Cu]1([P@](C(C)C)(C)c5ccccc5)[I]2[Cu]3([P@](C(C)C)(C)c2ccccc2)[I]14
Title of publication	Luminescent P-Chirogenic Copper Clusters
Authors of publication	Antony Lapprand; Mathieu Dutartre; Naïma Khiri; Etienne Levert; Daniel Fortin; Yoann Rousselin; Armand Soldera; Sylvain Jugé; Pierre D. Harvey
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7958 - 7967
a	14.4077 ± 0.0003 Å
b	11.9085 ± 0.0003 Å
c	14.8739 ± 0.0003 Å
α	90°
β	95.103 ± 0.001°
γ	90°
Cell volume	2541.86 ± 0.1 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335454.cif
101383	2014-02-13	cif/ Adding structures of 4335454 via cif-deposit CGI script.	4335454.cif