Crystallography Open Database

Information card for entry 7133836

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Coordinates	7133836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Br8 Mn2 N8
Calculated formula	C28 H44 Br8 Mn2 N8
Title of publication	Promoting Structural Distortion to Enhance Crystal Field Strength of Mn(II) in Tetrahedral Bromide for Near-Unity Yellow Emission
Authors of publication	Qi, Zhikai; Zhang, Ke; Zhao, Xingxing; Zhang, Nan; Li, Shi-Li; Zhang, Xian-Ming
Journal of publication	Chemical Communications
Year of publication	2024
a	33.1106 ± 0.0006 Å
b	16.5169 ± 0.0003 Å
c	7.9113 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4326.57 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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