Crystallography Open Database

Information card for entry 4088866

Preview

Coordinates	4088866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H92 Cl14 F12 N16 O0.36 P2 Ru2
Calculated formula	C78 H92 Cl14 F12 N16 O0.36 P2 Ru2
Title of publication	Bonding and Catalytic Application of Ruthenium N-Heterocyclic Carbene Complexes Featuring Triazole, Triazolylidene, and Imidazolylidene Ligands
Authors of publication	Hollering, Manuela; Albrecht, Martin; Kühn, Fritz E.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	2980
a	12.2142 ± 0.001 Å
b	28.133 ± 0.002 Å
c	28.641 ± 0.003 Å
α	90°
β	100.067 ± 0.004°
γ	90°
Cell volume	9690.2 ± 1.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
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	0.0596
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
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
237864 (current)	2019-11-24	cif/ Adding structures of 4088866, 4088867, 4088868 via cif-deposit CGI script.	4088866.cif