Crystallography Open Database

Information card for entry 7217293

Preview

Coordinates	7217293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H27.5 Cl2 Mn N5 O1.5
Calculated formula	C19.5 H27.5 Cl2 Mn N5 O1.5
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	10.4242 ± 0.0002 Å
b	9.1757 ± 0.0001 Å
c	24.4086 ± 0.0005 Å
α	90°
β	100.971 ± 0.001°
γ	90°
Cell volume	2292 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0786
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1463
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217293.cif
121058	2014-08-01	cif/ Adding structures of 7217293, 7217294 via cif-deposit CGI script.	7217293.cif