Crystallography Open Database

Information card for entry 7710778

Preview

Coordinates	7710778.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-SMe2
Formula	C60 H60 B2 Br4 N2 P4 S W
Calculated formula	C60 H60 B2 Br4 N2 P4 S W
Title of publication	Spontaneous N<sub>2</sub>-diboranylation of [W(N<sub>2</sub>)<sub>2</sub>(dppe)<sub>2</sub>] with B<sub>2</sub>Br<sub>4</sub>(SMe<sub>2</sub>)<sub>2</sub>.
Authors of publication	Haufe, Lisa C.; Arrowsmith, Merle; Dietz, Maximilian; Gärtner, Annalena; Bertermann, Rüdiger; Braunschweig, Holger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	10.399 ± 0.005 Å
b	16.792 ± 0.007 Å
c	17.471 ± 0.008 Å
α	90.149 ± 0.013°
β	104.315 ± 0.012°
γ	90.505 ± 0.017°
Cell volume	2956 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0669
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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