Crystallography Open Database

Information card for entry 1572578

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Coordinates	1572578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 Br4 F4 Mn P2
Calculated formula	C42 H38 Br4 F4 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	13.6889 ± 0.0006 Å
b	16.4095 ± 0.0007 Å
c	18.7391 ± 0.0008 Å
α	90°
β	99.905 ± 0.001°
γ	90°
Cell volume	4146.6 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0437
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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