Crystallography Open Database

Information card for entry 4080800

Preview

Coordinates	4080800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H57 Cl2 Hg O P3 Ru Si
Calculated formula	C57.5 H57 Cl2 Hg O P3 Ru Si
Title of publication	Ambiphilic Reactivity of a Ruthenaphosphaalkenyl: Synthesis ofP-Pyrazolylphosphaalkene Complexes of Ruthenium(0)
Authors of publication	Trathen, Nicola; Greenacre, Victoria K.; Crossley, Ian R.; Roe, S. Mark
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2501
a	21.3342 ± 0.0002 Å
b	11.9218 ± 0.0001 Å
c	43.0554 ± 0.0005 Å
α	90°
β	104.358 ± 0.0004°
γ	90°
Cell volume	10608.8 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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