Crystallography Open Database

Information card for entry 7014916

Preview

Coordinates	7014916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Br2
Calculated formula	C18 H28 Br2
SMILES	c1(Br)cc(c(cc1CCCCCC)Br)CCCCCC
Title of publication	Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents
Authors of publication	Franz, Daniel; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Dalton Transactions
Year of publication	2011
Journal volume	40
Journal issue	11
Pages of publication	2433
a	6.6943 ± 0.0006 Å
b	7.8948 ± 0.0008 Å
c	9.8024 ± 0.0009 Å
α	109.19 ± 0.007°
β	99.292 ± 0.007°
γ	108.45 ± 0.007°
Cell volume	443.28 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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