Crystallography Open Database

Information card for entry 7000256

Preview

Coordinates	7000256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93.4 H114.8 Cl18.8 Mn14 N8 O52
Calculated formula	C93.4 H72.8 Cl18.8 Mn14 N8 O52
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	11.5561 ± 0.0009 Å
b	20.218 ± 0.0016 Å
c	30.997 ± 0.002 Å
α	90°
β	96.108 ± 0.002°
γ	90°
Cell volume	7201.1 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0694
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	7000256.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000256.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000256.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000256.cif