Crystallography Open Database

Information card for entry 7064337

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Coordinates	7064337.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C6H14N2O?CdBr4
Formula	C4 H10.67 Br2.67 Cd0.67 N1.33 O0.67
Calculated formula	C4 H10.6667 Br2.66667 Cd0.666667 N1.33333 O0.666667
Title of publication	Mn(Ⅱ)-doped zero-dimensional hybrid Cd bromide with efficient green emission
Authors of publication	Li, Jinwei; Jin, Yuling; Xu, Zhihuang; Ye, Liwang; Wu, Diwai; Yan, Kailun; Zhuang, Xinxin
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	13.3903 ± 0.0002 Å
b	13.4096 ± 0.0002 Å
c	15.8024 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2837.46 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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