Crystallography Open Database

Information card for entry 1571505

Preview

Coordinates	1571505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H7 F7 N2 O Sb2
Calculated formula	C6 H7 F7 N2 O Sb2
Title of publication	[(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect.
Authors of publication	Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	21
Pages of publication	8071 - 8079
a	7.3227 ± 0.001 Å
b	7.4727 ± 0.0012 Å
c	11.1037 ± 0.0016 Å
α	75.512 ± 0.013°
β	83.357 ± 0.011°
γ	85.846 ± 0.013°
Cell volume	583.73 ± 0.15 Å³
Cell temperature	295.68 ± 0.1 K
Ambient diffraction temperature	295.68 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation probe	x-ray
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
292933 (current)	2024-07-05	cif/ Updating files of 1571505, 1571506 Original log message: Adding full bibliography for 1571505--1571506.cif.	1571505.cif
291419	2024-05-01	cif/ Adding structures of 1571505, 1571506 via cif-deposit CGI script.	1571505.cif