Crystallography Open Database

Information card for entry 7714580

Preview

Coordinates	7714580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 F3 N O3 Sn
Calculated formula	C8 H10 F3 N O3 Sn
SMILES	[Sn](F)(F)[F-].c1(ccc(cc1)[C@H](C(=O)O)[NH3+])O
Title of publication	Chiral amino acid-templated tin fluorides tailoring nonlinear optical properties, birefringence, and photoluminescence.
Authors of publication	Jung, Ahyung; Li, Yang; Ok, Kang Min
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	53
Journal issue	1
Pages of publication	105 - 114
a	7.9805 ± 0.0002 Å
b	5.8498 ± 0.0002 Å
c	23.4594 ± 0.0007 Å
α	90°
β	90.834 ± 0.001°
γ	90°
Cell volume	1095.07 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
289468 (current)	2024-02-04	cif/ Updating files of 7714580, 7714581, 7714582, 7714583 Original log message: Adding full bibliography for 7714580--7714583.cif.	7714580.cif
287911	2023-12-01	cif/ Adding structures of 7714580, 7714581, 7714582, 7714583 via cif-deposit CGI script.	7714580.cif