Crystallography Open Database

Information card for entry 7054872

Preview

Coordinates	7054872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H87 Ce F3 K N6 O6 S
Calculated formula	C61 H87 Ce F3 K N6 O6 S
Title of publication	Structural variation in cerium aryloxide complexes templated by hemilabile K±-amine interactions
Authors of publication	Kim, Jee Eon; Carroll, Patrick J.; Schelter, Eric J.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	8
Pages of publication	6076
a	20.835 ± 0.003 Å
b	14.682 ± 0.002 Å
c	23.143 ± 0.003 Å
α	90°
β	115.188 ± 0.006°
γ	90°
Cell volume	6406.3 ± 1.5 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	8
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	0.0798
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7054872.cif
153247	2015-08-08	cif/ Updating files of 7054872, 7054873, 7054874, 7054875, 7054876, 7054877, 7054878, 7054879 Original log message: Adding full bibliography for 7054872--7054879.cif.	7054872.cif
137471	2015-05-28	cif/ Adding structures of 7054872, 7054873, 7054874, 7054875, 7054876, 7054877, 7054878, 7054879 via cif-deposit CGI script.	7054872.cif