Crystallography Open Database

Information card for entry 4349356

Preview

Coordinates	4349356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H66 Ce N2 Si6
Calculated formula	C38 H66 Ce N2 Si6
SMILES	[Ce]123456789([n]%10ccccc%10c%10[n]1cccc%10)([c]1([Si](C)(C)C)[c]2([Si](C)(C)C)[cH]3[c]4([Si](C)(C)C)[cH]51)[c]1([c]6([Si](C)(C)C)[cH]7[c]8([Si](C)(C)C)[cH]91)[Si](C)(C)C
Title of publication	Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.
Authors of publication	Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	5
Pages of publication	2496 - 2505
a	17.9857 ± 0.0014 Å
b	18.2507 ± 0.0017 Å
c	28.791 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9450.7 ± 1.5 Å³
Cell temperature	150.03 ± 0.1 K
Ambient diffraction temperature	150.03 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.169
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
233893 (current)	2019-11-23	cif/ Adding structures of 4349353, 4349354, 4349355, 4349356, 4349357, 4349358, 4349359, 4349360 via cif-deposit CGI script.	4349356.cif