Crystallography Open Database

Information card for entry 8000531

Preview

Coordinates	8000531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 Br4 Mn P2
Calculated formula	C48 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	9.7649 ± 0.0001 Å
b	28.6587 ± 0.0002 Å
c	16.2036 ± 0.0001 Å
α	90°
β	104.154 ± 0.001°
γ	90°
Cell volume	4396.91 ± 0.06 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8000531.html