Crystallography Open Database

Information card for entry 7217294

Preview

Coordinates	7217294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H22 Cl2 Mn N4
Calculated formula	C13 H22 Cl2 Mn N4
SMILES	c12C(C)=[N]3[Mn]4(Cl)([n]2cccc1)([NH](CCC3)CCC[NH2]4)Cl
Title of publication	Metal ionic size directed complexation in manganese(II) coordination chemistry: Efficient candidates showing phenoxazinone synthase mimicking activity
Authors of publication	Panja, Anangamohan
Journal of publication	RSC Advances
Year of publication	2014
a	19.262 ± 0.0003 Å
b	11.796 ± 0.00001 Å
c	17.129 ± 0.0003 Å
α	90°
β	122.207 ± 0.005°
γ	90°
Cell volume	3293.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
206958 (current)	2018-03-15	Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1	7217294.cif
180503	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72.	7217294.cif
121058	2014-08-01	cif/ Adding structures of 7217293, 7217294 via cif-deposit CGI script.	7217294.cif