Crystallography Open Database

Information card for entry 8000528

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Coordinates	8000528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 Br4 Mn P2
Calculated formula	C44 H38 Br4 Mn P2
Title of publication	Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices
Authors of publication	Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen
Journal of publication	The Journal of Physical Chemistry Letters
Year of publication	2021
Pages of publication	7394 - 7399
a	11.90232 ± 0.00004 Å
b	18.92658 ± 0.00007 Å
c	18.74628 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	4222.98 ± 0.03 Å³
Cell temperature	249.97 ± 0.1 K
Ambient diffraction temperature	249.97 ± 0.1 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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