Crystallography Open Database

Information card for entry 7250262

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Coordinates	7250262.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	13.7604 ± 0.0003 Å
b	9.9259 ± 0.0003 Å
c	9.6119 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1312.84 ± 0.06 Å³
Cell temperature	253 K
Ambient diffraction temperature	253 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	0.0237
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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

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