Crystallography Open Database

Information card for entry 4108968

Preview

Coordinates	4108968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H17 Mn2 N8 O3
Calculated formula	C9 H15 Mn2 N8 O2
Title of publication	Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets, [MnII(HL)(H2O)][MnIII(CN)6].2H2O (L = S- or R-1,2-diaminopropane): Syntheses, Structures, and Magnetic Behaviors
Authors of publication	Wakako Kaneko; Susumu Kitagawa; Masaaki Ohba
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	248 - 249
a	7.5145 ± 0.0005 Å
b	14.261 ± 0.001 Å
c	14.844 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1590.75 ± 0.19 Å³
Cell temperature	243.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4108968.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108968.cif
57670	2012-05-18	cif/ Adding structures of 4108968 via cif-deposit CGI script.	4108968.cif