Crystallography Open Database

Information card for entry 7053672

Preview

Coordinates	7053672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 N O5 Zn
Calculated formula	C9 H10 N O5 Zn
Title of publication	Metal-organic coordination frameworks based on mixed methylmalonate and 4,4′-bipiridine ligands: synthesis, crystal structure and magnetic properties
Authors of publication	Déniz, Mariadel; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	11
Pages of publication	2515
a	7.2498 ± 0.0005 Å
b	19.7336 ± 0.0012 Å
c	7.3271 ± 0.0004 Å
α	90°
β	91.714 ± 0.005°
γ	90°
Cell volume	1047.78 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0439
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180090 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/36.	7053672.cif
93750	2014-01-13	cif/ Adding structures of 7053663, 7053664, 7053665, 7053666, 7053667, 7053668, 7053669, 7053670, 7053671, 7053672 via cif-deposit CGI script.	7053672.cif