Crystallography Open Database

Information card for entry 4502733

Preview

Coordinates	4502733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cu N2 O7
Calculated formula	C13 H12 Cu N2 O7
Title of publication	Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties
Authors of publication	Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	2
Pages of publication	599
a	12.918 ± 0.003 Å
b	10.348 ± 0.002 Å
c	20.404 ± 0.004 Å
α	90°
β	108.09 ± 0.03°
γ	90°
Cell volume	2592.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0624
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
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
179558 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/27.	4502733.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502733.cif
37734	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502733 via cif-deposit CGI script.	4502733.cif