Crystallography Open Database

Information card for entry 7209116

7209115 << 7209116 >> 7209117

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Coordinates	7209116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Br N
Calculated formula	C6 H16 Br N
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	7.9465 ± 0.0014 Å
b	8.1567 ± 0.0014 Å
c	7.9743 ± 0.0014 Å
α	90°
β	116.379 ± 0.011°
γ	90°
Cell volume	463.05 ± 0.15 Å³
Cell temperature	435 ± 2 K
Ambient diffraction temperature	435 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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