Crystallography Open Database

Information card for entry 7718268

Preview

Coordinates	7718268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H57 Bi2 Br12 N3 O
Calculated formula	C49 H57 Bi2 Br12 N3 O
Title of publication	Ferroelectricity and piezoelectric energy harvesting of an A<sub>3</sub>M<sub>2</sub>X<sub>9</sub>-type 0D bromobismuthate hybrid with a bulky organic quaternary amine.
Authors of publication	Meena, Namonarayan; Sahoo, Supriya; Deka, Nilotpal; Gadagin, Vinayak B.; Zaręba, Jan K; Boomishankar, Ramamoorthy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	7
Pages of publication	2985 - 2990
a	28.88 ± 0.007 Å
b	12.092 ± 0.003 Å
c	18.54 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6474 ± 3 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.192
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
297972 (current)	2025-03-04	cif/ Adding structures of 7718267, 7718268 via cif-deposit CGI script.	7718268.cif