Crystallography Open Database

Information card for entry 4502736

Preview

Coordinates	4502736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H29 Cu2 N3 O14
Calculated formula	C10 H17 Cu2 N3 O14
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	7.2175 ± 0.001 Å
b	17.536 ± 0.002 Å
c	7.963 ± 0.001 Å
α	90°
β	96.224 ± 0.01°
γ	90°
Cell volume	1001.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	4502736.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502736.cif
37737	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502736 via cif-deposit CGI script.	4502736.cif