Crystallography Open Database

Information card for entry 4344461

Preview

Coordinates	4344461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H66 I12 N22 Nd4
Calculated formula	C38 H57 I12 N19 Nd4
Title of publication	Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.
Authors of publication	Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	24
Pages of publication	11958 - 11968
a	17.9128 ± 0.0014 Å
b	23.5137 ± 0.0019 Å
c	20.9519 ± 0.0017 Å
α	90°
β	91.451 ± 0.002°
γ	90°
Cell volume	8822 ± 1.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	5
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	0.0729
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	1.623
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
173570 (current)	2016-01-06	cif/ Updating files of 4344459, 4344460, 4344461, 4344462, 4344463, 4344464, 4344465 Original log message: Adding full bibliography for 4344459--4344465.cif.	4344461.cif
170544	2015-11-26	cif/ Adding structures of 4344459, 4344460, 4344461, 4344462, 4344463, 4344464, 4344465 via cif-deposit CGI script.	4344461.cif