Crystallography Open Database

Information card for entry 7046920

Preview

Coordinates	7046920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H45 B Cl5 N4 O Ru
Calculated formula	C49 H45 B Cl5 N4 O Ru
Title of publication	Electrochemical properties and C-H bond oxidation activity of [Ru(tpy)(pyalk)Cl]<sup>+</sup> and [Ru(tpy)(pyalk)(OH)]<sup/>.
Authors of publication	Nilles, Christian K.; Herath, Hashini N. K.; Fanous, Hanna; Ugrinov, Angel; Parent, Alexander R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	29
Pages of publication	9701 - 9708
a	17.924 ± 0.002 Å
b	14.3725 ± 0.0017 Å
c	17.534 ± 0.002 Å
α	90°
β	96.56 ± 0.002°
γ	90°
Cell volume	4487.4 ± 0.9 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101.12 K
Number of distinct elements	7
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	0.0931
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
229175 (current)	2019-11-17	cif/ Updating files of 7046920 Original log message: Adding full bibliography for 7046920.cif.	7046920.cif
208734	2018-06-29	cif/ Adding structures of 7046920 via cif-deposit CGI script.	7046920.cif