Crystallography Open Database

Information card for entry 7002377

Preview

Coordinates	7002377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H54 Ge2 Mn3 N6 O2 Se6
Calculated formula	C20 H54 Ge2 Mn3 N6 O2 Se6
Title of publication	Intermediate spin ground state of an isosceles triangular [MnII3] complex
Authors of publication	Haddadpour, Sima; Niedermeyer, Heiko; Clérac, Rodolphe; Dehnen, Stefanie
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	39
Pages of publication	8162 - 8164
a	20.257 ± 0.004 Å
b	14.013 ± 0.003 Å
c	14.277 ± 0.003 Å
α	90°
β	106.7 ± 0.03°
γ	90°
Cell volume	3881.8 ± 1.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	0.773
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
179721 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/23.	7002377.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002377.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002377.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002377.cif