Crystallography Open Database

Information card for entry 1568073

Preview

Coordinates	1568073.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	20.4795 ± 0.0005 Å
b	18.1694 ± 0.0004 Å
c	19.6068 ± 0.0006 Å
α	90°
β	107.039 ± 0.003°
γ	90°
Cell volume	6975.5 ± 0.3 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 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	0.055
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1568073.cif
279795	2022-12-08	cif/ Adding structures of 1568070, 1568071, 1568072, 1568073 via cif-deposit CGI script.	1568073.cif