Crystallography Open Database

Information card for entry 7060113

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Coordinates	7060113.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[PMDPTA]2Pb3Br12
Formula	C22 H60 Br12 N6 Pb3
Calculated formula	C22 H60 Br12 N6 Pb3
Title of publication	Broadband yellow light emitting performance based on zero-dimensional hybrid lead bromide trimers
Authors of publication	Sun, Xing-Yu; Zhang, Wei-Feng; Pan, Hong-Mei; Ma, Yue-Yu; Jing, Zhi-Hong
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	48
Pages of publication	21146 - 21151
a	9.9716 ± 0.0012 Å
b	15.7329 ± 0.0019 Å
c	31.996 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5019.6 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0356
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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