Crystallography Open Database

Information card for entry 4109900

Preview

Coordinates	4109900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108.5 H131 F9 N9 O27.5 S3 Tb
Calculated formula	C96 H81 F9 N9 O15 S3 Tb
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	22.9408 ± 0.0007 Å
b	22.9408 ± 0.0007 Å
c	12.998 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	5924.1 ± 0.4 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	0.0354
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
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.	4109900.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109900.cif
58678	2012-05-29	cif/ Adding structures of 4109900 via cif-deposit CGI script.	4109900.cif