Crystallography Open Database

Information card for entry 7116069

Preview

Coordinates	7116069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C194 H299 Br8 N8 Nd8 O117 Zn16
Calculated formula	C194 H299 Br8 N8 Nd8 O117 Zn16
Title of publication	Self-assembly of NIR luminescent 30-metal drum-like and 12-metal rectangular d-f nanoclusters with long-chain Schiff base ligands
Authors of publication	Xiaoping Yang; Zongping Li; Shiqing Wang; Shaoming Huang; Desmond Schipper; Richard A. Jones
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15569
a	27.503 ± 0.006 Å
b	16.362 ± 0.003 Å
c	33.94 ± 0.007 Å
α	90°
β	91.17 ± 0.03°
γ	90°
Cell volume	15270 ± 5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2172
Weighted residual factors for all reflections included in the refinement	0.2653
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7116069.cif
128998	2014-12-22	cif/ Adding structures of 7116067, 7116068, 7116069, 7116070 via cif-deposit CGI script.	7116069.cif