Crystallography Open Database

Information card for entry 1100873

Preview

Coordinates	1100873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 O13 P Pt Ru5
Calculated formula	C38 H42 O13 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	12.6218 ± 0.0005 Å
b	13.3776 ± 0.0005 Å
c	14.3654 ± 0.0005 Å
α	92.678 ± 0.001°
β	91.051 ± 0.001°
γ	109.958 ± 0.001°
Cell volume	2275.91 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0578
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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