Crystallography Open Database

Information card for entry 7043214

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Coordinates	7043214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 Bi Se3
Calculated formula	C12 H9 Bi Se3
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	6.2842 ± 0.0004 Å
b	8.3495 ± 0.0007 Å
c	13.7048 ± 0.0011 Å
α	77.414 ± 0.007°
β	79.252 ± 0.006°
γ	81.297 ± 0.006°
Cell volume	684.89 ± 0.09 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0527
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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