Crystallography Open Database

Information card for entry 4327322

Preview

Coordinates	4327322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H194 Mn12 N2 O48
Calculated formula	C99 H184.404 Mn12 O48
Title of publication	New Polynuclear Manganese Clusters from the Use of the Hydrophobic Carboxylate Ligand 2,2-Dimethylbutyrate
Authors of publication	Nicole E. Chakov; Lev N. Zakharov; Arnold L. Rheingold; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4555 - 4567
a	16.285 ± 0.003 Å
b	16.556 ± 0.003 Å
c	27.839 ± 0.005 Å
α	83.524 ± 0.003°
β	74.242 ± 0.003°
γ	70.34 ± 0.003°
Cell volume	6801 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2169
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327322.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327322.cif
61086	2012-06-21	cif/ Adding structures of 4327322 via cif-deposit CGI script.	4327322.cif