Crystallography Open Database

Information card for entry 4064718

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Coordinates	4064718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H68 Cl3 P2 Ru Zr
Calculated formula	C45 H62 Cl3 P2 Ru Zr
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	12.3242 ± 0.0003 Å
b	21.9791 ± 0.0005 Å
c	16.8359 ± 0.0004 Å
α	90°
β	97.011 ± 0.0008°
γ	90°
Cell volume	4526.32 ± 0.19 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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