Crystallography Open Database

Information card for entry 7111722

Preview

Coordinates	7111722.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis[(2,6-di(pyrazol-1-yl)pyridine]ruthenium(II) ditetrafluoroborate
Formula	C22 H18 B2 F8 N10 Ru
Calculated formula	C22 H18 B2 F8 N10 Ru
Title of publication	Using one spin-transition to trigger another in solid solutions of two different spin-crossover complexes
Authors of publication	Halcrow, Malcolm A.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4761 - 4763
a	8.5703 ± 0.0008 Å
b	8.6188 ± 0.0007 Å
c	18.6937 ± 0.0016 Å
α	90°
β	97.706 ± 0.006°
γ	90°
Cell volume	1368.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
180231 (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 7/11/17.	7111722.cif
96751	2014-01-29	cif/ Adding structures of 7111722 via cif-deposit CGI script.	7111722.cif