Crystallography Open Database

Information card for entry 1568070

Preview

Coordinates	1568070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H108 Cl12 Cu3 N6
Calculated formula	C48 H108 Cl12 Cu3 N6
Title of publication	Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.
Authors of publication	Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang
Journal of publication	Nanoscale
Year of publication	2023
Journal volume	15
Journal issue	4
Pages of publication	1595 - 1601
a	20.7149 ± 0.0013 Å
b	18.0468 ± 0.0008 Å
c	19.5556 ± 0.0013 Å
α	90°
β	107.343 ± 0.007°
γ	90°
Cell volume	6978.3 ± 0.8 Å³
Cell temperature	199.99 ± 0.1 K
Ambient diffraction temperature	199.99 ± 0.1 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1851
Weighted residual factors for all reflections included in the refinement	0.194
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281489 (current)	2023-03-04	cif/ Updating files of 1568070, 1568071, 1568072, 1568073 Original log message: Adding full bibliography for 1568070--1568073.cif.	1568070.cif
279795	2022-12-08	cif/ Adding structures of 1568070, 1568071, 1568072, 1568073 via cif-deposit CGI script.	1568070.cif