Crystallography Open Database

Information card for entry 4329126

Preview

Coordinates	4329126.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	p-LH2
Formula	C16 H18 O4
Calculated formula	C16 H18 O4
Title of publication	Dinuclear Cu(II) Complexes of Isomeric Bis-(3-acetylacetonate)benzene Ligands: Synthesis, Structure, and Magnetic Properties
Authors of publication	Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lorenzo Sorace; Dante Gatteschi; Lidia Armelao
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5409 - 5416
a	13.2257 ± 0.0003 Å
b	12.6283 ± 0.0003 Å
c	8.78833 ± 0.00018 Å
α	90°
β	90°
γ	90°
Cell volume	1467.81 ± 0.06 Å³
Cell temperature	298.3 K
Ambient diffraction temperature	298.3 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179394 (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 4/32/91.	4329126.cif
78166	2013-04-01	cif/ Adding structures of 4329126 via cif-deposit CGI script.	4329126.cif