Crystallography Open Database

Information card for entry 4064723

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Coordinates	4064723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H65 B Cl2 F24 Hf P2 Ru
Calculated formula	C75 H65 B Cl2 F24 Hf P2 Ru
Title of publication	Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes
Authors of publication	Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	11
Pages of publication	3194
a	26.4425 ± 0.001 Å
b	17.388 ± 0.0007 Å
c	16.1407 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7421.2 ± 0.5 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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