Crystallography Open Database

Information card for entry 8000530

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Coordinates	8000530.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2
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	10.1305 ± 0.0001 Å
b	12.7616 ± 0.0002 Å
c	17.9057 ± 0.0003 Å
α	75.345 ± 0.001°
β	86.03 ± 0.001°
γ	67.855 ± 0.001°
Cell volume	2073.47 ± 0.05 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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