Crystallography Open Database

Information card for entry 7249249

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Coordinates	7249249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Cl2 N3 O21 Zr6
Calculated formula	C54 H48 Cl2 N3 O21 Zr6
Title of publication	One-step synthesis of pure-phase amino-functionalized zirconium-based capsule ZrC-1-NH2 for photocatalytic degradation of tetracycline
Authors of publication	Xu, Ting-Ting; Wei, De-Sheng; Li, Shuang-Bao; Zhang, Yu-Teng; Lv, Nan
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	38
Pages of publication	5431 - 5439
a	19.8615 ± 0.0012 Å
b	17.7218 ± 0.001 Å
c	17.2448 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6069.9 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1991
Weighted residual factors for all reflections included in the refinement	0.2027
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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