Crystallography Open Database

Information card for entry 1571313

Preview

Coordinates	1571313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As B F H4 N O4
Calculated formula	As B F H4 N O4
Title of publication	Hydrogen bonding bolstered head-to-tail ligation of functional chromophores in a 0D SbF<sub>3</sub>·glycine adduct for a short-wave ultraviolet nonlinear optical material.
Authors of publication	Bai, Zhiyong; Lee, Jihyun; Hu, Chun-Li; Zou, Guohong; Ok, Kang Min
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	17
Pages of publication	6572 - 6576
a	4.4453 ± 0.0006 Å
b	8.1098 ± 0.001 Å
c	12.7463 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	459.51 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291565 (current)	2024-05-05	cif/ Updating files of 1571313 Original log message: Adding full bibliography for 1571313.cif.	1571313.cif
290716	2024-04-02	cif/ Adding structures of 1571313 via cif-deposit CGI script.	1571313.cif