Crystallography Open Database

Information card for entry 4331865

Preview

Coordinates	4331865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H80 Cr3 K3 Mn3 O58
Calculated formula	C54 H80 Cr3 K3 Mn3 O58
Title of publication	Synthesis and Characterization of a Soluble Bimetallic Oxalate-Based Bidimensional Magnet: [K(18-crown-6)]3[Mn3(H2O)4{Cr(ox)3}3]
Authors of publication	Coronado, Eugenio; Galán-Mascarós, José Ramón; Martí-Gastaldo, Carlos
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	1882 - 1884
a	26.776 ± 0.0006 Å
b	20.049 ± 0.0005 Å
c	18.19 ± 0.0005 Å
α	90°
β	115.932 ± 0.0009°
γ	90°
Cell volume	8781.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1513
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	0.895
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
179421 (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 4/33/18.	4331865.cif
97944	2014-01-29	cif/ Adding structures of 4331865 via cif-deposit CGI script.	4331865.cif