Crystallography Open Database

Information card for entry 4111730

Preview

Coordinates	4111730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H112 Br8 Cl N8 O31 Tb3
Calculated formula	C97 H66 Br8 Cl N8 O31 Tb3
Title of publication	Anion Dependent Self-Assembly of "Tetra-Decker" and "Triple-Decker" Luminescent Tb(III) Salen Complexes
Authors of publication	Xiaoping Yang; Richard A. Jones
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	7686 - 7687
a	22.764 ± 0.005 Å
b	19.015 ± 0.004 Å
c	29.285 ± 0.006 Å
α	90°
β	104.78 ± 0.03°
γ	90°
Cell volume	12257 ± 5 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2148
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.1694
Weighted residual factors for all reflections included in the refinement	0.2178
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
178888 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/17.	4111730.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111730.cif
63334	2012-07-26	cif/ Adding structures of 4111730 via cif-deposit CGI script.	4111730.cif