Crystallography Open Database

Information card for entry 4507528

Preview

Coordinates	4507528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Mn N2 O6
Calculated formula	C16 H16 Mn N2 O6
Title of publication	Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids
Authors of publication	Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	1260
a	12.6991 ± 0.0005 Å
b	15.5711 ± 0.0006 Å
c	16.3313 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3229.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2477
Weighted residual factors for all reflections included in the refinement	0.2584
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179611 (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 4/50/75.	4507528.cif
85553	2013-05-07	cif/ Adding structures of 4507528 via cif-deposit CGI script.	4507528.cif