Crystallography Open Database

Information card for entry 7710783

Preview

Coordinates	7710783.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-PMe3
Formula	C67 H69 B2 Br4 N2 P5 W
Calculated formula	C67 H69 B2 Br4 N2 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	19.06 ± 0.004 Å
b	38.289 ± 0.008 Å
c	28.618 ± 0.008 Å
α	90°
β	112.1 ± 0.006°
γ	90°
Cell volume	19351 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	I 1 a 1
Hall space group symbol	I -2ya
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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