Crystallography Open Database

Information card for entry 4066394

Preview

Coordinates	4066394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H82 Nd2 Si6
Calculated formula	C42 H72 Nd2 Si6
Title of publication	The First Linear, Homoleptic Triple-Decker Sandwich Complex of an f-Element: A Molecular Model for Organolanthanide Nanowires†
Authors of publication	Lorenz, Volker; Blaurock, Steffen; Hrib, Cristian G.; Edelmann, Frank T.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	4787
a	13.2914 ± 0.0003 Å
b	17.2442 ± 0.0003 Å
c	24.3534 ± 0.0004 Å
α	90°
β	102.68 ± 0.0015°
γ	90°
Cell volume	5445.65 ± 0.18 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
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	0.0499
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
178555 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/63.	4066394.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066394.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066394.cif
33882	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066394 via cif-deposit CGI script.	4066394.cif