Crystallography Open Database

Information card for entry 7700579

Preview

Coordinates	7700579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Cl2 N5 O9 Ru
Calculated formula	C25 H21 Cl2 N5 O9 Ru
Title of publication	Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes.
Authors of publication	Kotani, Hiroaki; Shimomura, Hinatsu; Horimoto, Momoka; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Yanagisawa, Sachiko; Kawahara-Nakagawa, Yuka; Kubo, Minoru; Kojima, Takahiko
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	35
Pages of publication	13154 - 13161
a	13.4843 ± 0.0011 Å
b	17.0634 ± 0.0013 Å
c	12.1072 ± 0.0012 Å
α	90°
β	103.683 ± 0.009°
γ	90°
Cell volume	2706.7 ± 0.4 Å³
Cell temperature	90 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2319
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224489 (current)	2019-11-08	cif/ Updating files of 7700578, 7700579, 7700580 Original log message: Adding full bibliography for 7700578--7700580.cif.	7700579.cif
217091	2019-07-17	cif/ Adding structures of 7700578, 7700579, 7700580 via cif-deposit CGI script.	7700579.cif