Crystallography Open Database

Information card for entry 8000478

Preview

Coordinates	8000478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 Cl6 F N3 O4 Sn
Calculated formula	C19 H26 Cl6 F N3 O4 Sn
SMILES	[Sn](Cl)(Cl)(Cl)([Cl-])(Cl)[Cl-].Fc1c(cc2c(c1)c(c(c[n+]2C1CC1)C(=O)O)O)N1CC[NH+](CC1)CC.O
Title of publication	Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.
Authors of publication	Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Journal volume	12
Journal issue	7
Pages of publication	1918 - 1925
a	17.1753 ± 0.001 Å
b	10.1401 ± 0.0006 Å
c	17.1948 ± 0.001 Å
α	90°
β	119.018 ± 0.0013°
γ	90°
Cell volume	2618.7 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	7
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	0.0966
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
262451 (current)	2021-03-04	cif/ Updating files of 8000478, 8000479, 8000480 Original log message: Adding full bibliography for 8000478--8000480.cif.	8000478.cif
262045	2021-02-18	cif/ Adding structures of 8000478 via cif-deposit CGI script.	8000478.cif