Crystallography Open Database

Information card for entry 4064425

Preview

Coordinates	4064425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 F6 N2 P Ru S3
Calculated formula	C22 H29 F6 N2 P Ru S3
SMILES	[Ru]123([S]4CC[S]2CC[S]1CC4)([n]1c(c2c3cccc2)cccc1)C#[N]C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Facile Direct Insertion of Nitrosonium Ion (NO+) into a Ruthenium−Aryl Bond
Authors of publication	Chan, Siu-Chung; Pat, Pak-Kei; Lau, Tai-Chu; Wong, Chun-Yuen
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1311
a	28.57 ± 0.0009 Å
b	10.1893 ± 0.0002 Å
c	22.0909 ± 0.0006 Å
α	90°
β	117.223 ± 0.004°
γ	90°
Cell volume	5718.5 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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