Crystallography Open Database

Information card for entry 1556368

Preview

Coordinates	1556368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H25 Cl3 F12 N5 O P2 Ru
Calculated formula	C24.5 H25 Cl3 F12 N5 O P2 Ru
Title of publication	Mechanistic insight into catalytic oxidations of organic compounds by ruthenium(iv)-oxo complexes with pyridylamine ligands
Authors of publication	Ohzu, Shingo; Ishizuka, Tomoya; Hirai, Yuichirou; Jiang, Hua; Sakaguchi, Miyuki; Ogura, Takashi; Fukuzumi, Shunichi; Kojima, Takahiko
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	12
Pages of publication	3421
a	11.3277 ± 0.0018 Å
b	18.234 ± 0.003 Å
c	15.932 ± 0.003 Å
α	90°
β	97.573 ± 0.002°
γ	90°
Cell volume	3262 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
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	0.0753
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
244382 (current)	2019-11-28	cif/ Adding structures of 1556368 via cif-deposit CGI script.	1556368.cif