Crystallography Open Database

Information card for entry 1572575

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Coordinates	1572575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 Br4 Mn P2
Calculated formula	C44 H46 Br4 Mn P2
Title of publication	Bisphosphonium Cation Based Metal Halide Glass Scintillators with Tunable Melting Points
Authors of publication	Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin
Journal of publication	Chemical Science
Year of publication	2024
a	15.4957 ± 0.001 Å
b	33.2381 ± 0.0011 Å
c	16.6711 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8586.4 ± 0.7 Å³
Cell temperature	101 ± 1 K
Ambient diffraction temperature	101 ± 1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1148
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.2132
Weighted residual factors for all reflections included in the refinement	0.2368
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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