Crystallography Open Database

Information card for entry 4064717

Preview

Coordinates	4064717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H52 Cl3 P2 Ru Ti
Calculated formula	C37 H52 Cl3 P2 Ru Ti
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	10.0045 ± 0.0007 Å
b	13.7329 ± 0.0009 Å
c	15.2026 ± 0.0009 Å
α	79.8881 ± 0.0018°
β	74.1678 ± 0.0018°
γ	69.405 ± 0.0019°
Cell volume	1873.7 ± 0.2 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for all reflections included in the refinement	0.0969
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064717.html