Crystallography Open Database

Information card for entry 4305971

Preview

Coordinates	4305971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H40 Mn3 N13 O2 S5
Calculated formula	C21 H40 Mn3 N13 O2 S5
Title of publication	Decomposition of Dinuclear Manganese Complexes for the Preparation of Nanostructured Oxide Materials
Authors of publication	Jonathan P. Hill; Humberto Palza; Sher Alam; Katsuhiko Ariga; Amy Lea Schumacher; Francis D'Souza; Christopher E. Anson; Annie K. Powell
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8306 - 8314
a	18.2699 ± 0.001 Å
b	11.2384 ± 0.0006 Å
c	18.6432 ± 0.0009 Å
α	90°
β	114.51 ± 0.006°
γ	90°
Cell volume	3483 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
179097 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/59.	4305971.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305971.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305971.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305971.cif