Crystallography Open Database

Information card for entry 7250254

Preview

Coordinates	7250254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 I3 N4 P
Calculated formula	C6 H18 I3 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	14.1583 ± 0.0004 Å
b	14.4657 ± 0.0004 Å
c	14.2413 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2916.76 ± 0.13 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0177
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0436
Weighted residual factors for all reflections included in the refinement	0.0439
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation probe	x-ray
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
300733 (current)	2025-07-06	cif/ Updating files of 7250254, 7250255, 7250256, 7250257, 7250258, 7250259, 7250260, 7250261, 7250262, 7250263, 7250264, 7250265, 7250266, 7250267, 7250268, 7250269, 7250270 Original log message: Adding full bibliography for 7250254--7250270.cif.	7250254.cif
299223	2025-04-09	cif/ Adding structures of 7250254, 7250255, 7250256, 7250257, 7250258, 7250259, 7250260, 7250261, 7250262, 7250263, 7250264, 7250265, 7250266, 7250267, 7250268, 7250269, 7250270 via cif-deposit CGI script.	7250254.cif