Crystallography Open Database

Information card for entry 4349353

Preview

Coordinates	4349353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 La N2
Calculated formula	C36 H50 La N2
SMILES	[La]123456789([n]%10ccccc%10c%10[n]1cccc%10)([c]1([cH]2[c]3([cH]4[cH]51)C(C)(C)C)C(C)(C)C)[c]1([cH]6[c]7([cH]8[cH]91)C(C)(C)C)C(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	16.6336 ± 0.0013 Å
b	10.6734 ± 0.0006 Å
c	19.3376 ± 0.0009 Å
α	90°
β	103.307 ± 0.006°
γ	90°
Cell volume	3341 ± 0.4 Å³
Cell temperature	150.03 ± 0.1 K
Ambient diffraction temperature	150.03 ± 0.1 K
Number of distinct elements	4
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	0.0852
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4349353.cif