Crystallography Open Database

Information card for entry 7047170

Preview

Coordinates	7047170.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hj4156
Formula	C45.5 H63 N2 Ru Si
Calculated formula	C45.5 H63 N2 Ru Si
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	11.0987 ± 0.0005 Å
b	11.9821 ± 0.0006 Å
c	30.851 ± 0.0015 Å
α	90°
β	94.924 ± 0.003°
γ	90°
Cell volume	4087.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.055
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
229932 (current)	2019-11-17	cif/ Updating files of 7047167, 7047168, 7047169, 7047170, 7047171 Original log message: Adding full bibliography for 7047167--7047171.cif.	7047170.cif
209284	2018-07-27	cif/ Adding structures of 7047167, 7047168, 7047169, 7047170, 7047171 via cif-deposit CGI script.	7047170.cif