Crystallography Open Database

Information card for entry 7047169

Preview

Coordinates	7047169.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hj3052
Formula	C52 H46 B F15 N2 Ru
Calculated formula	C52 H46 B F15 N2 Ru
Title of publication	Synthesis, structures, and reactivity studies of cyclometalated N-heterocyclic carbene complexes of ruthenium.
Authors of publication	Liu, Hsueh-Ju; Ziegler, Micah S.; Tilley, T. Don
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	35
Pages of publication	12138 - 12146
a	15.4693 ± 0.0019 Å
b	16.581 ± 0.002 Å
c	21.2 ± 0.003 Å
α	78.787 ± 0.002°
β	88.279 ± 0.002°
γ	63.664 ± 0.002°
Cell volume	4770.5 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2124
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.2473
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
229932 (current)	2019-11-17	cif/ Updating files of 7047167, 7047168, 7047169, 7047170, 7047171 Original log message: Adding full bibliography for 7047167--7047171.cif.	7047169.cif
209284	2018-07-27	cif/ Adding structures of 7047167, 7047168, 7047169, 7047170, 7047171 via cif-deposit CGI script.	7047169.cif