Crystallography Open Database

Information card for entry 4330443

Preview

Coordinates	4330443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H108 Mn8 O20
Calculated formula	C96 H108 Mn8 O20
Title of publication	Synthesis, Structure, and Magnetic Studies of Manganese-Oxygen Clusters of Reduced Coordination Number, Featuring an Unchelated, 5-Coordinate Octanuclear Manganese Cluster with Water-Derived Oxo Ligands
Authors of publication	Sandeep K. Kondaveeti; Shivaiah Vaddypally; Carol Lam; Daigorou Hirai; Ni Ni; Robert J. Cava; Michael J. Zdilla
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10095 - 10104
a	26.479 ± 0.003 Å
b	45.599 ± 0.006 Å
c	20.072 ± 0.003 Å
α	90°
β	129.425 ± 0.002°
γ	90°
Cell volume	18721 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179407 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/04.	4330443.cif
79712	2013-04-05	cif/ Adding structures of 4330443 via cif-deposit CGI script.	4330443.cif