Crystallography Open Database

Information card for entry 7007240

Preview

Coordinates	7007240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H84 Cl4 Mn4 N2 O16
Calculated formula	C52 H84 Cl4 Mn4 N2 O16
Title of publication	Ligand-induced distortion of a tetranuclear manganese butterfly complex.
Authors of publication	Bagai, Rashmi; Abboud, Khalil A.; Christou, George
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	27
Pages of publication	3306 - 3312
a	17.7518 ± 0.0013 Å
b	17.3654 ± 0.0012 Å
c	21.4029 ± 0.0015 Å
α	90°
β	100.856 ± 0.001°
γ	90°
Cell volume	6479.7 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
179776 (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 7/00/72.	7007240.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007240.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007240.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007240.cif