Crystallography Open Database

Information card for entry 4348957

Preview

Coordinates	4348957.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly{[dimethylformamide(mu4-5-cyanoisophthalato-k2O,O':kO':kO'':kO''') cadmium(II)]}
Formula	C12 H10 Cd N2 O5
Calculated formula	C12 H10 Cd N2 O5
Title of publication	Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.
Authors of publication	Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	21
Pages of publication	11230 - 11248
a	7.1291 ± 0.0002 Å
b	16.0748 ± 0.0006 Å
c	11.0375 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1264.88 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0428
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
233509 (current)	2019-11-23	cif/ Adding structures of 4348957 via cif-deposit CGI script.	4348957.cif