Crystallography Open Database

Information card for entry 7216794

Preview

Coordinates	7216794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 Cl Mn0.5 N4
Calculated formula	C33 H24 Cl Mn0.5 N4
Title of publication	A Mn(ii) coordination framework incorporating the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand (NPy3): electrochemical and spectral properties
Authors of publication	Hua, Carol; D'Alessandro, Deanna M.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6331
a	28.732 ± 0.0001 Å
b	13.5996 ± 0.0001 Å
c	17.575 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	6867.32 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 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.	7216794.cif
118209	2014-06-27	cif/ Adding structures of 7216794 via cif-deposit CGI script.	7216794.cif