Crystallography Open Database

Information card for entry 4121378

Preview

Coordinates	4121378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H14 Cu F8 N2 O4 V2
Calculated formula	C2 H14 Cu F8 N2 O4 V2
Title of publication	Spin Frustration from cis-Edge or -Corner Sharing Metal-Centered Octahedra
Authors of publication	Romain Gautier; Kengo Oka; Takumi Kihara; Nitesh Kumar; Athinarayanan Sundaresan; Masashi Tokunaga; Masaki Azuma; Kenneth R. Poeppelmeier
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	19268 - 19274
a	6.6154 ± 0.0003 Å
b	6.8546 ± 0.0003 Å
c	7.4796 ± 0.0003 Å
α	82.032 ± 0.002°
β	67.561 ± 0.005°
γ	71.9979 ± 0.0018°
Cell volume	298.06 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179015 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/13.	4121378.cif
107585	2014-03-20	cif/ Adding structures of 4121378 via cif-deposit CGI script.	4121378.cif