Crystallography Open Database

Information card for entry 7209118

7209117 << 7209118 >> 7209119

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Coordinates	7209118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Br N
Calculated formula	C6 H16 Br N
SMILES	[Br-].C([NH2+]C(C)C)(C)C
Title of publication	Room-temperature ferroelectricity in diisopropylammonium bromide
Authors of publication	Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	5
Pages of publication	940
a	7.8586 ± 0.0005 Å
b	8.0818 ± 0.0005 Å
c	7.8918 ± 0.0005 Å
α	90°
β	116.29 ± 0.004°
γ	90°
Cell volume	449.38 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.0459
Goodness-of-fit parameter for all reflections included in the refinement	0.864
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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