Crystallography Open Database

Information card for entry 7719500

7719499 << 7719500 >> 7719501

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Coordinates	7719500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 Br4 Mn P2
Calculated formula	C22 H36 Br4 Mn P2
Title of publication	High photoluminescence quantum yield modulation of zero-dimensional organic-inorganic Mn(II) metal halides by substituent modification.
Authors of publication	Cao, Qing-Ling; Zhong, Wen-He; Zhu, Jie-Yu; Shi, Cai-Hong; Zhao, Jia-Jia; Chen, Li-Zhuang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	42
Pages of publication	15801 - 15807
a	19.718 ± 0.0006 Å
b	19.718 ± 0.0006 Å
c	41.613 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	14011.5 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1767
Weighted residual factors for all reflections included in the refinement	0.2082
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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