Crystallography Open Database

Information card for entry 4517508

Preview

Coordinates	4517508.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	csp-2fc-cd
Formula	C4 H12 Cd Cl4 F4 N2
Calculated formula	C4 H12 Cd Cl4 F4 N2
Title of publication	Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]
Authors of publication	Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi
Journal of publication	ACS Omega
Year of publication	2020
Journal volume	5
Journal issue	12
Pages of publication	6773 - 6780
a	7.5273 ± 0.0009 Å
b	7.4027 ± 0.0009 Å
c	23.054 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1284.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.396
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257077 (current)	2020-10-04	cif/ Updating files of 4517507, 4517508, 4517509, 4517510, 4517511 Original log message: Adding full bibliography for 4517507--4517511.cif.	4517508.cif
250046	2020-04-04	cif/ Updating files of 4517507, 4517508, 4517509, 4517510, 4517511 Original log message: Adding full bibliography for 4517507--4517511.cif.	4517508.cif
249574	2020-03-21	cif/ Adding structures of 4517508 via cif-deposit CGI script.	4517508.cif