Crystallography Open Database

Information card for entry 4109903

Preview

Coordinates	4109903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H81 F9 N9 Nd O15 S3
Calculated formula	C96 H81 F9 N9 Nd O15 S3
Title of publication	Self-Assembly of Chiral Luminescent Lanthanide Coordination Bundles
Authors of publication	Joseph P. Leonard; Paul Jensen; Thomas McCabe; John E. O'Brien; Robert D. Peacock; Paul E. Kruger; Thorfinnur Gunnlaugsson
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10986 - 10987
a	23.098 ± 0.002 Å
b	23.098 ± 0.002 Å
c	12.99 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	6001.9 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
178845 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99.	4109903.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109903.cif
58681	2012-05-29	cif/ Adding structures of 4109903 via cif-deposit CGI script.	4109903.cif