Crystallography Open Database

Information card for entry 1562560

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Coordinates	1562560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 Cl9 Cu In N5
Calculated formula	C20 Cl9 Cu In N5
Title of publication	Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption
Authors of publication	Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I.
Journal of publication	Chemical Science
Year of publication	2021
a	32.2043 ± 0.0012 Å
b	7.6774 ± 0.0003 Å
c	34.1813 ± 0.0013 Å
α	90°
β	107.203 ± 0.002°
γ	90°
Cell volume	8073.1 ± 0.5 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1736
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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