Crystallography Open Database

Information card for entry 7226395

Preview

Coordinates	7226395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H16 Ce2 O17
Calculated formula	C9 H6 Ce2 O17
Title of publication	Crystal growth and structural remarks on malonate-based lanthanide coordination polymers
Authors of publication	Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	40
Pages of publication	7831
a	7.6281 ± 0.0008 Å
b	12.8621 ± 0.0013 Å
c	8.8824 ± 0.0011 Å
α	90°
β	101.279 ± 0.008°
γ	90°
Cell volume	854.65 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
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
188096 (current)	2016-11-08	cif/ Updating files of 7226392, 7226393, 7226394, 7226395 Original log message: Adding full bibliography for 7226392--7226395.cif.	7226395.cif
186075	2016-08-30	cif/ Adding structures of 7226392, 7226393, 7226394, 7226395 via cif-deposit CGI script.	7226395.cif