Crystallography Open Database

Information card for entry 4311538

Preview

Coordinates	4311538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H72 Cl2 Li N3 Nd O3
Calculated formula	C48 H72 Cl2 Li N3 Nd O3
Title of publication	Preparation, Characterization, and Magnetic Behavior of the Ln Derivatives (Ln = Nd, La) of a 2,6-Diiminepyridine Ligand and Corresponding Dianion
Authors of publication	Hiroyasu Sugiyama; Ilia Korobkov; Sandro Gambarotta; Angela Möller; Peter H. M. Budzelaar
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	5771 - 5779
a	18.938 ± 0.003 Å
b	12.8774 ± 0.0018 Å
c	20.907 ± 0.003 Å
α	90°
β	100.155 ± 0.002°
γ	90°
Cell volume	5018.8 ± 1.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
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	0.091
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179154 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/15.	4311538.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311538.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311538.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4311538.cif
3037	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311538 via cif-deposit CGI script.	4311538.cif