Crystallography Open Database

Information card for entry 8104857

Preview

Coordinates	8104857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Ce N7 O10
Calculated formula	C15 H16 Ce N7 O10
SMILES	[Ce]1234567([OH]C(C[N]5=Cc5[n]4cccc5)C[N]6=Cc4[n]7cccc4)([O]=N(=O)O1)(ON(=[O]2)=O)ON(=[O]3)=O
Title of publication	Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ 5 N,N′,N′′,N′′′,O]-tris(nitrato-κ 2 O,O′) cerium(III), C15H16CeN7O10
Authors of publication	Bai, Wen-Jing; Jia, Mei-Ye; Nie, Feng-Mei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	2
Pages of publication	451 - 453
a	7.8762 ± 0.0012 Å
b	21.33 ± 0.003 Å
c	13.181 ± 0.002 Å
α	90°
β	99.536 ± 0.002°
γ	90°
Cell volume	2183.8 ± 0.6 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
273971 (current)	2022-03-25	cif/ Adding structures of 8104857 via cif-deposit CGI script.	8104857.cif