Crystallography Open Database

Information card for entry 1572580

Preview

Coordinates	1572580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H46 Br4 F4 Mn O P2
Calculated formula	C45 H46 Br4 F4 Mn O 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	12.2655 ± 0.0002 Å
b	19.6016 ± 0.0003 Å
c	19.2241 ± 0.0003 Å
α	90°
β	96.361 ± 0.001°
γ	90°
Cell volume	4593.47 ± 0.13 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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