Crystallography Open Database

Information card for entry 7061367

Preview

Coordinates	7061367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 Cl5 N2 O2 Sb
Calculated formula	C8 H20 Cl5 N2 O2 Sb
SMILES	[Sb]([Cl-])(Cl)(Cl)(Cl)[Cl-].O[C@H]1CC[NH2+]C1.O[C@H]1CC[NH2+]C1
Title of publication	A 1D chiral infinite chain organic metal halide hybrid with excellent SHG switching and moderate spontaneous polarization
Authors of publication	Zhuang, Jia-Chang; Tan, Yui-Hui; Fan, Xiao-Wei; Tang, Yun-Zhi; Song, Ning; Zhang, Yi-Hua; Zhang, Hao; Chen, Shao-Peng
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	15
Pages of publication	7103 - 7107
a	8.7467 ± 0.0004 Å
b	11.3654 ± 0.0005 Å
c	17.6409 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1753.68 ± 0.14 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2589
Weighted residual factors for all reflections included in the refinement	0.2891
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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
275029 (current)	2022-05-05	cif/ Updating files of 7061367 Original log message: Adding full bibliography for 7061367.cif.	7061367.cif
273518	2022-03-08	cif/ Adding structures of 7061367 via cif-deposit CGI script.	7061367.cif