Crystallography Open Database

Information card for entry 7043212

Preview

Coordinates	7043212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 Bi N3
Calculated formula	C15 H18 Bi N3
SMILES	c1(cccn1C)[Bi](c1cccn1C)c1cccn1C
Title of publication	Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction
Authors of publication	Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich
Journal of publication	Dalton Trans.
Year of publication	2017
a	7.1009 ± 0.001 Å
b	8.0234 ± 0.0011 Å
c	13.7128 ± 0.0015 Å
α	77.669 ± 0.011°
β	75.569 ± 0.011°
γ	83.657 ± 0.011°
Cell volume	737.8 ± 0.17 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.0959
Weighted residual factors for significantly intense reflections	0.2606
Weighted residual factors for all reflections included in the refinement	0.2733
Goodness-of-fit parameter for all reflections included in the refinement	1.2
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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