Crystallography Open Database

Information card for entry 4329271

Preview

Coordinates	4329271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.75 H102.2 Cu6 N9 Nd O38.35
Calculated formula	C42.75 H102 Cu6 N9 Nd O38.35
Title of publication	Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids
Authors of publication	George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5911 - 5918
a	19.88 ± 0.008 Å
b	19.88 ± 0.008 Å
c	13.243 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	4533 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329271.cif
78311	2013-04-01	cif/ Adding structures of 4329271 via cif-deposit CGI script.	4329271.cif