Crystallography Open Database

Information card for entry 4067154

Preview

Coordinates	4067154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H50 F6 Fe O7 P Ru S4
Calculated formula	C40 H43 F6 Fe O6 P Ru S4
Title of publication	Preparation of Thiolate-Bridged Dinuclear Ruthenium Complexes Bearing a Phosphine Ligand and Application to Propargylic Reduction of Propargylic Alcohols with 2-Propanol
Authors of publication	Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	5994
a	26.4554 ± 0.0011 Å
b	26.4554 ± 0.0011 Å
c	11.6852 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	7082.6 ± 0.5 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	8
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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