Crystallography Open Database

Information card for entry 4122603

Preview

Coordinates	4122603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H101 Eu F9 N9 O21 S3
Calculated formula	C115 H101 Eu F9 N9 O21 S3
Title of publication	Lanthanide template synthesis of a molecular trefoil knot.
Authors of publication	Ayme, Jean-François; Gil-Ramírez, Guzmán; Leigh, David A.; Lemonnier, Jean-François; Markevicius, Augustinas; Muryn, Christopher A.; Zhang, Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	38
Pages of publication	13142 - 13145
a	20.1817 ± 0.0004 Å
b	39.2294 ± 0.001 Å
c	29.3154 ± 0.0007 Å
α	90°
β	93.412 ± 0.002°
γ	90°
Cell volume	23168.3 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.231
Residual factor for significantly intense reflections	0.1069
Weighted residual factors for significantly intense reflections	0.2713
Weighted residual factors for all reflections included in the refinement	0.36
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179028 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/26.	4122603.cif
127009	2014-11-12	cif/ Updating files of 4122603 Original log message: Adding full bibliography for 4122603.cif.	4122603.cif
123709	2014-09-11	cif/ Adding structures of 4122603 via cif-deposit CGI script.	4122603.cif