Crystallography Open Database

Information card for entry 4507529

Preview

Coordinates	4507529.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	12.6358 ± 0.0008 Å
b	15.2897 ± 0.0009 Å
c	16.4183 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3172 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1031
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	4507529.cif
85554	2013-05-07	cif/ Adding structures of 4507529 via cif-deposit CGI script.	4507529.cif