Crystallography Open Database

Information card for entry 4327842

Preview

Coordinates	4327842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H9 Nd O8
Calculated formula	C18 H9 Nd O8
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	17.19 ± 0.0003 Å
b	15.1901 ± 0.0003 Å
c	25.3382 ± 0.0005 Å
α	90°
β	106.581 ± 0.001°
γ	90°
Cell volume	6341.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0588
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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.	4327842.cif
76764	2013-03-21	cif/ Adding structures of 4327842 via cif-deposit CGI script.	4327842.cif