Crystallography Open Database

Information card for entry 7215281

Preview

Coordinates	7215281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Mn N2 O6
Calculated formula	C14 H16 Mn N2 O6
Title of publication	Dynamic 2D manganese(ii) isonicotinate framework with reversible crystal-to-amorphous transformation and selective guest adsorption
Authors of publication	Matoga, Dariusz; Gil, Barbara; Nitek, Wojciech; Todd, Alexander D.; Bielawski, Christopher W.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	23
Pages of publication	4959
a	10.869 ± 0.005 Å
b	12.13 ± 0.005 Å
c	13.783 ± 0.004 Å
α	90°
β	117.75 ± 0.02°
γ	90°
Cell volume	1608.2 ± 1.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation probe	x-ray
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7215281.cif
116187	2014-06-07	cif/ Updating files of 7215281 Original log message: Adding full bibliography for 7215281.cif.	7215281.cif
111720	2014-04-26	cif/ Adding structures of 7215281 via cif-deposit CGI script.	7215281.cif