Crystallography Open Database

Information card for entry 4063351

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Coordinates	4063351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H56 B F24 P3 Ru
Calculated formula	C81 H56 B F24 P3 Ru
Title of publication	Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes
Authors of publication	Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	2
Pages of publication	204 - 207
a	25.14 ± 0.003 Å
b	18.189 ± 0.002 Å
c	16.2652 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	7437.6 ± 1.5 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123.1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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