Crystallography Open Database

Information card for entry 4134041

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Coordinates	4134041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H54 Mo O2 Sn
Calculated formula	C43 H54 Mo O2 Sn
Title of publication	Metathetical Exchange between Metal-Metal Triple Bonds.
Authors of publication	Queen, Joshua D.; Phung, Alice C.; Caputo, Christine A.; Fettinger, James C.; Power, Philip P.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	9.6023 ± 0.0004 Å
b	9.8505 ± 0.0004 Å
c	21.0495 ± 0.0008 Å
α	87.9879 ± 0.0015°
β	82.7837 ± 0.0015°
γ	88.3199 ± 0.0014°
Cell volume	1973.41 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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