Crystallography Open Database

Information card for entry 4329127

Preview

Coordinates	4329127.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	o-LH2
Formula	C16 H18 O4
Calculated formula	C16 H18 O4
SMILES	CC(=C(\C(=O)C)c1ccccc1/C(=C(\C)O)C(=O)C)\O
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	17.7839 ± 0.0013 Å
b	8.5189 ± 0.0003 Å
c	11.8682 ± 0.0008 Å
α	90°
β	124.449 ± 0.01°
γ	90°
Cell volume	1482.7 ± 0.2 Å³
Cell temperature	298.3 K
Ambient diffraction temperature	298.3 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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.	4329127.cif
78167	2013-04-01	cif/ Adding structures of 4329127 via cif-deposit CGI script.	4329127.cif