Crystallography Open Database

Information card for entry 4327170

Preview

Coordinates	4327170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H117.5 Mn10 N27.5 O25.5
Calculated formula	C58 H117.532 Mn10 N27.404 O25.532
Title of publication	New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10
Authors of publication	Arpita Saha; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	12774 - 12784
a	13.058 ± 0.003 Å
b	16.551 ± 0.003 Å
c	22.339 ± 0.005 Å
α	82.451 ± 0.004°
β	82.488 ± 0.007°
γ	66.784 ± 0.007°
Cell volume	4382 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4327170.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4327170.cif
49949	2012-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4327170 via cif-deposit CGI script.	4327170.cif