Crystallography Open Database

Information card for entry 4003972

Preview

Coordinates	4003972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H52 Cu4 I6 Na2 O15
Calculated formula	C24 H52 Cu4 I6 Na2 O15
Title of publication	Ultra-Broad-Band-Excitable Cu(I)-Based Organometallic Halide with Near-Unity Emission for Light-Emitting Diode Applications
Authors of publication	Huang, Jinglong; Su, Binbin; Song, Enhai; Molokeev, Maxim S.; Xia, Zhiguo
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	12
Pages of publication	4382 - 4389
a	11.2186 ± 0.0003 Å
b	13.7976 ± 0.0004 Å
c	15.2854 ± 0.0004 Å
α	90°
β	96.979 ± 0.002°
γ	90°
Cell volume	2348.49 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0296
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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