Crystallography Open Database

Information card for entry 4327325

Preview

Coordinates	4327325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H45 Mn2 N2 O9
Calculated formula	C28 H38 Mn2 N2 O9
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	12.9936 ± 0.001 Å
b	18.8216 ± 0.0014 Å
c	14.0822 ± 0.001 Å
α	90°
β	107.174 ± 0.001°
γ	90°
Cell volume	3290.4 ± 0.4 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 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	0.063
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4327325.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327325.cif
61089	2012-06-21	cif/ Adding structures of 4327325 via cif-deposit CGI script.	4327325.cif