Crystallography Open Database

Information card for entry 4349355

Preview

Coordinates	4349355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H50 Ce N2 Si4
Calculated formula	C32 H50 Ce N2 Si4
SMILES	[Ce]123456789([n]%10ccccc%10c%10[n]1cccc%10)([c]1([Si](C)(C)C)[cH]2[c]3([Si](C)(C)C)[cH]4[cH]51)[c]1([Si](C)(C)C)[cH]6[c]7([Si](C)(C)C)[cH]8[cH]91
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	11.1559 ± 0.0002 Å
b	17.1622 ± 0.0003 Å
c	19.284 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3692.11 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4349355.cif