Crystallography Open Database

Information card for entry 4327844

Preview

Coordinates	4327844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H6 Nd O7
Calculated formula	C13 H6 Nd O7
Title of publication	Water-Free Neodymium 2,6-Naphthalenedicarboxylates Coordination Complexes and Their Application as Catalysts for Isoprene Polymerization
Authors of publication	Inês Rodrigues; Ionut Mihalcea; Christophe Volkringer; Thierry Loiseau; Marc Visseaux
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	483 - 490
a	10.7908 ± 0.0011 Å
b	8.6951 ± 0.0009 Å
c	25.475 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2390.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0492
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.362
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
179381 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78.	4327844.cif
76766	2013-03-21	cif/ Adding structures of 4327844 via cif-deposit CGI script.	4327844.cif