Crystallography Open Database

Information card for entry 4077345

Preview

Coordinates	4077345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H34 N O4.5 Ru2
Calculated formula	C46.5 H34 N O4.5 Ru2
Title of publication	Reactivity of [Ru2(μ-η1:η1-NCPh2)(μ-η1:η2-PhCCHPh)(CO)6] with Alkynes. Insertion Reactions of Nonactivated Alkynes into Ru−C and Ru−N Bonds
Authors of publication	Cabeza, Javier A.; del Río, Ignacio; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor; Suárez, Marta
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	20
Pages of publication	4190
a	15.278 ± 0.001 Å
b	12.315 ± 0.001 Å
c	21.953 ± 0.001 Å
α	90°
β	90.75 ± 0.01°
γ	90°
Cell volume	4130.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.204
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	0.916
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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