Crystallography Open Database

Information card for entry 7709239

Preview

Coordinates	7709239.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetracyanorutenium(II)
Formula	C14 H18 Ca N6 O5 Ru
Calculated formula	C14 H18 Ca N6 O5 Ru
Title of publication	Reversible colour/luminescence colour changes of tetracyanoruthenium(II) complexes by sorption/desorption of water molecules in crystals.
Authors of publication	Hattori, Shingo; Nagai, Tomoya; Sekine, Akiko; Otsuka, Takuhiro; Shinozaki, Kazuteru
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	4
Pages of publication	1474 - 1480
a	6.8147 ± 0.0002 Å
b	26.3293 ± 0.0008 Å
c	11.0322 ± 0.0003 Å
α	90°
β	101.043 ± 0.003°
γ	90°
Cell volume	1942.81 ± 0.1 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272690 (current)	2022-02-04	cif/ Updating files of 7709239, 7709240 Original log message: Adding full bibliography for 7709239--7709240.cif.	7709239.cif
271926	2022-01-07	cif/ Adding structures of 7709239, 7709240 via cif-deposit CGI script.	7709239.cif