Crystallography Open Database

Information card for entry 4112327

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Coordinates	4112327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34 O14.5 P Pt Ru5
Calculated formula	C29 H34 O14.5 P Pt Ru5
Title of publication	Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)]
Authors of publication	Adams, Richard D.; Captain, Burjor; Zhu, Lei
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Journal issue	10
Pages of publication	3042 - 3043
a	20.5414 ± 0.0009 Å
b	21.3611 ± 0.0009 Å
c	18.455 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8097.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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