Crystallography Open Database

Information card for entry 7710782

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Coordinates	7710782.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-CNMes*
Formula	C80 H86 B2 Br4 N3 P4 W
Calculated formula	C80 H86 B2 Br4 N3 P4 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	14.517 ± 0.003 Å
b	16.761 ± 0.004 Å
c	16.951 ± 0.004 Å
α	91.443 ± 0.019°
β	94.078 ± 0.017°
γ	113.893 ± 0.015°
Cell volume	3754.9 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0455
Weighted residual factors for all reflections included in the refinement	0.0468
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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