Crystallography Open Database

Information card for entry 8106563

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Coordinates	8106563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Br2 N2
Calculated formula	C12 H6 Br2 N2
Title of publication	Crystal structure of 2,9-dibromo-1,10-phenanthroline, C12H6Br2N2
Authors of publication	Zhang, Yu; Wang, Weizhou
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	3
Pages of publication	441 - 442
a	19.6816 ± 0.0009 Å
b	4.6554 ± 0.0002 Å
c	11.8795 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1088.47 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	0.8
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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