Crystallography Open Database

Information card for entry 4517511

Preview

Coordinates	4517511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H1.5 Cd0.25 Cl F0.5 N0.5
Calculated formula	C H1.5 Cd0.25 Cl F0.5 N0.5
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	7.4525 ± 0.0007 Å
b	21.842 ± 0.002 Å
c	7.5766 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1233.3 ± 0.19 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
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	0.0328
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 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.	4517511.cif
250046	2020-04-04	cif/ Updating files of 4517507, 4517508, 4517509, 4517510, 4517511 Original log message: Adding full bibliography for 4517507--4517511.cif.	4517511.cif
249577	2020-03-21	cif/ Adding structures of 4517511 via cif-deposit CGI script.	4517511.cif