Crystallography Open Database

Information card for entry 7000449

Preview

Coordinates	7000449.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mn18 correction
Formula	C44 H92 Mn18 N42 O36
Calculated formula	C44 H92 Mn18 N42 O36
Title of publication	Structure and magnetism of decanuclear and octadecanuclear manganese(II/III) triethanolamine clusters
Authors of publication	Langley, Stuart K.; Berry, Kevin J.; Moubaraki, Boujemaa; Murray, Keith S.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	6
Pages of publication	973 - 982
a	15.1519 ± 0.0007 Å
b	18.0423 ± 0.0009 Å
c	21.5306 ± 0.001 Å
α	67.445 ± 0.002°
β	79.357 ± 0.002°
γ	73.97 ± 0.002°
Cell volume	5203.8 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0706
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.1948
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
179682 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/04.	7000449.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000449.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000449.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000449.cif