Crystallography Open Database

Information card for entry 4131751

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Coordinates	4131751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cl6 N2 O5 Pb3
Calculated formula	C16 H18 Cl6 N2 O5 Pb3
Title of publication	Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors.
Authors of publication	Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	8
Pages of publication	2805 - 2811
a	4.3181 ± 0.001 Å
b	22.051 ± 0.006 Å
c	25.387 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2417.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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