Crystallography Open Database

Information card for entry 7126120

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Coordinates	7126120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 Bi Cl6 N3
Calculated formula	C6 H24 Bi Cl6 N3
Title of publication	Halogen substitution regulates the phase transition temperature and band gap of semiconductor compounds.
Authors of publication	Li, Hui-Hui; Wang, Chang-Feng; Wu, Ya-Xing; Jiang, Fan; Shi, Chao; Ye, Heng-Yun; Zhang, Yi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	11
Pages of publication	1697 - 1700
a	11.5267 ± 0.0003 Å
b	7.8653 ± 0.0002 Å
c	21.5333 ± 0.0005 Å
α	90°
β	103.831 ± 0.002°
γ	90°
Cell volume	1895.62 ± 0.08 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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