Crystallography Open Database

Information card for entry 7112204

Preview

Coordinates	7112204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Fe N10
Calculated formula	C38 H28 Fe N10
Title of publication	A chiral spin crossover metal-organic framework
Authors of publication	Wei Liu; Xin Bao; Ling-Ling Mao; Jiri Tucek; Radek Zboril; Jun-Liang Liu; Fu-Sheng Guo; Zhao-Ping Ni; Ming-Liang Tong
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4059
a	11.0431 ± 0.001 Å
b	11.0431 ± 0.001 Å
c	25.478 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	2690.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	153
Hermann-Mauguin space group symbol	P 32 1 2
Hall space group symbol	P 32 2 (0 0 2)
Residual factor for all reflections	0.1051
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.2209
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
180236 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/22.	7112204.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112204.cif
108182	2014-03-28	cif/ Adding structures of 7112201, 7112202, 7112203, 7112204 via cif-deposit CGI script.	7112204.cif