Crystallography Open Database

Information card for entry 4327323

Preview

Coordinates	4327323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81.5 H147 Cl Mn6 O32
Calculated formula	C80.75 H134 Cl0.25 Mn6 O32
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	15.98 ± 0.002 Å
b	21.255 ± 0.003 Å
c	30.57 ± 0.004 Å
α	90°
β	101.675 ± 0.002°
γ	90°
Cell volume	10168 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.2045
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4327323.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327323.cif
61087	2012-06-21	cif/ Adding structures of 4327323 via cif-deposit CGI script.	4327323.cif