Crystallography Open Database

Information card for entry 4517509

Preview

Coordinates	4517509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 Cd Cl4 F2 N2
Calculated formula	C4 H14 Cd Cl4 F2 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	11.2047 ± 0.0008 Å
b	7.6515 ± 0.0005 Å
c	7.305 ± 0.0005 Å
α	90°
β	104.162 ± 0.007°
γ	90°
Cell volume	607.24 ± 0.07 Å³
Cell temperature	269.98 ± 0.1 K
Ambient diffraction temperature	270 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.1861
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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.	4517509.cif
250046	2020-04-04	cif/ Updating files of 4517507, 4517508, 4517509, 4517510, 4517511 Original log message: Adding full bibliography for 4517507--4517511.cif.	4517509.cif
249575	2020-03-21	cif/ Adding structures of 4517509 via cif-deposit CGI script.	4517509.cif