Crystallography Open Database

Information card for entry 7000257

Preview

Coordinates	7000257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H62.8 Mn4 N8 O23.4
Calculated formula	C52 H44 Mn4 N8 O23.4
Title of publication	A MnII4 cubane and a novel MnII10MnIII4 cluster from the use of di-2-pyridyl ketone in manganese acetate chemistry
Authors of publication	Stoumpos, Constantinos C.; Gass, Ian A.; Milios, Constantinos J.; Lalioti, Nikolia; Terzis, Aris; Aromí, Guillem; Teat, Simon J.; Brechin, Euan K.; Perlepes, Spyros P.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	2
Pages of publication	307 - 317
a	19.151 ± 0.009 Å
b	15.288 ± 0.006 Å
c	22.763 ± 0.009 Å
α	90°
β	93.433 ± 0.014°
γ	90°
Cell volume	6653 ± 5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.0985
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.2019
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	7000257.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000257.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000257.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000257.cif