Crystallography Open Database

Information card for entry 8000389

Preview

Coordinates	8000389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H54 Cl I3 N4 O2 Pb
Calculated formula	C40 H54 Cl I3 N4 O2 Pb
Title of publication	One-Dimensional Organic-Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations.
Authors of publication	Véron, Anna C; Linden, Anthony; Leclaire, Nicolas A.; Roedern, Elsa; Hu, Shunbo; Ren, Wei; Rentsch, Daniel; Nüesch, Frank A
Journal of publication	The journal of physical chemistry letters
Year of publication	2018
Journal volume	9
Journal issue	9
Pages of publication	2438 - 2442
a	16.3649 ± 0.0007 Å
b	33.5729 ± 0.001 Å
c	8.0898 ± 0.0003 Å
α	90°
β	97.21 ± 0.004°
γ	90°
Cell volume	4409.5 ± 0.3 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
236662 (current)	2019-11-24	cif/ Adding structures of 8000389 via cif-deposit CGI script.	8000389.cif