Crystallography Open Database

Information card for entry 4110131

Preview

Coordinates	4110131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 Cr Mn N8
Calculated formula	C10.05 H13 Cr Mn N8
Title of publication	A Flexible Coordination Polymer Crystal Providing Reversible Structural and Magnetic Conversions
Authors of publication	Wakako Kaneko; Masaaki Ohba; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	13706 - 13712
a	7.85 ± 0.01 Å
b	14.31 ± 0.03 Å
c	12.97 ± 0.02 Å
α	90°
β	90.1 ± 0.03°
γ	90°
Cell volume	1457 ± 4 Å³
Cell temperature	343.1 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 significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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.	4110131.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110131.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110131.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110131.cif