Crystallography Open Database

Information card for entry 7132984

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Coordinates	7132984.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tb-TCPE
Formula	C36 H32 N2 O11 Pb2
Calculated formula	C36 H32 N2 O11 Pb2
Title of publication	Tetraphenylene-based semiconductive metal-organic framework crystals for direct X-ray detection and imaging.
Authors of publication	Luo, Qi; Li, Yuxia; Huang, Xin; Zheng, Yi; Gu, Qi; Wang, Shuaihua; Wu, Shaofan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	42
Pages of publication	5510 - 5513
a	16.46 ± 0.0006 Å
b	11.3441 ± 0.0005 Å
c	19.5207 ± 0.0006 Å
α	90°
β	94.325 ± 0.003°
γ	90°
Cell volume	3634.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.051
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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