Crystallography Open Database

Information card for entry 7710779

Preview

Coordinates	7710779.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-DMAP
Formula	C59 H58 B2 Br4 N4 P4 W
Calculated formula	C59 H58 B2 Br4 N4 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	18.893 ± 0.009 Å
b	28.42 ± 0.013 Å
c	25.635 ± 0.016 Å
α	90°
β	90.67 ± 0.03°
γ	90°
Cell volume	13763 ± 13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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