Crystallography Open Database

Information card for entry 7250268

Preview

Coordinates	7250268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Br3 N4 P
Calculated formula	C6 H18 Br3 N4 P
Title of publication	Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations
Authors of publication	Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	18
Pages of publication	2824 - 2829
a	13.8098 ± 0.0004 Å
b	9.9529 ± 0.0003 Å
c	9.6797 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1330.45 ± 0.08 Å³
Cell temperature	345 K
Ambient diffraction temperature	345 K
Number of distinct elements	5
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	0.0522
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7250268.html