Crystallography Open Database

Information card for entry 4121379

Preview

Coordinates	4121379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Cu F4 N2 O2 V
Calculated formula	C10 H10 Cu F4 N2 O2 V
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	7.107 ± 0.003 Å
b	17.24 ± 0.0007 Å
c	12.1314 ± 0.0018 Å
α	90°
β	125.491 ± 0.012°
γ	90°
Cell volume	1210.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4121379.cif
107586	2014-03-20	cif/ Adding structures of 4121379 via cif-deposit CGI script.	4121379.cif