Crystallography Open Database

Information card for entry 7700407

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Coordinates	7700407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 B Br2 F2 N2
Calculated formula	C15 H15 B Br2 F2 N2
Title of publication	gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.
Authors of publication	Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	30
Pages of publication	11492 - 11507
a	7.455 ± 0.006 Å
b	8.721 ± 0.008 Å
c	13.533 ± 0.011 Å
α	103.373 ± 0.018°
β	93.628 ± 0.019°
γ	97.399 ± 0.019°
Cell volume	844.9 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1874
Residual factor for significantly intense reflections	0.1017
Weighted residual factors for significantly intense reflections	0.2588
Weighted residual factors for all reflections included in the refinement	0.3137
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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