Crystallography Open Database

Information card for entry 7710777

Preview

Coordinates	7710777.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-PCy3
Formula	C76 H87 B2 Br4 N2 O0.29 P5 W
Calculated formula	C76.006 H87.011 B2 Br4 N2 O0.295 P5 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	13.687 ± 0.004 Å
b	30.454 ± 0.015 Å
c	17.661 ± 0.007 Å
α	90°
β	103.815 ± 0.016°
γ	90°
Cell volume	7149 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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