Crystallography Open Database

Information card for entry 4074950

Preview

Coordinates	4074950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H50.88 Cl2.12 I3 O4 Os P2 S
Calculated formula	C60 H50.876 Cl2.124 I3 O4 Os P2 S
Title of publication	An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and Methyl Propiolate and the C-Protonation of this Compound to Form a Tethered Osmabenzene
Authors of publication	Clark, George R.; Johns, Paul M.; Roper, Warren R.; Wright, L. James
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	7
Pages of publication	1771
a	12.7455 ± 0.0001 Å
b	14.9228 ± 0.0002 Å
c	17.4255 ± 0.0002 Å
α	82.513 ± 0.001°
β	75.312 ± 0.001°
γ	64.78°
Cell volume	2899.46 ± 0.06 Å³
Cell temperature	84 ± 2 K
Ambient diffraction temperature	84 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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