Crystallography Open Database

Information card for entry 7035621

Preview

Coordinates	7035621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H91 Cr3 O22
Calculated formula	C44.0028 H88.0056 Cr3 O22.0012
Title of publication	Effects of the Dzyaloshinskii-Moriya interaction in Cr3 triangular spin clusters detected by specific heat and multi-frequency electron spin resonance.
Authors of publication	Ghirri, Alberto; van Tol, Johan; Vitorica-Yrezabal, Inigo; Timco, Grigore A.; Winpenny, Richard E. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	31
Pages of publication	14027 - 14033
a	12.292 ± 0.0006 Å
b	12.292 ± 0.0006 Å
c	22.719 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	2972.8 ± 0.3 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0919
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
153170 (current)	2015-08-08	cif/ Updating files of 7035621 Original log message: Adding full bibliography for 7035621.cif.	7035621.cif
139989	2015-07-04	cif/ Adding structures of 7035621 via cif-deposit CGI script.	7035621.cif