Crystallography Open Database

Information card for entry 7700414

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Coordinates	7700414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 B Br2 F2 N2
Calculated formula	C27 H23 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	36.157 ± 0.0013 Å
b	39.5961 ± 0.0014 Å
c	6.7201 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9621 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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