Crystallography Open Database

Information card for entry 7007116

Preview

Coordinates	7007116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H0 Mn9 N48 O32.8 Re6
Calculated formula	C73 Mn9 N48 O32.8 Re6
Title of publication	Symmetry-breaking substitutions of [Re(CN)8]3- into the centered, face-capped octahedral clusters (CH3OH)24M9M'6(CN)48 (M = Mn, Co; M = Mo, W).
Authors of publication	Freedman, Danna E.; Bennett, Miriam V.; Long, Jeffrey R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	23
Pages of publication	2829 - 2834
a	29.235 ± 0.005 Å
b	18.748 ± 0.003 Å
c	32.554 ± 0.006 Å
α	90°
β	114.856 ± 0.002°
γ	90°
Cell volume	16190 ± 5 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.2143
Weighted residual factors for all reflections included in the refinement	0.2163
Goodness-of-fit parameter for all reflections included in the refinement	1.845
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.	7007116.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007116.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007116.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007116.cif