Crystallography Open Database

Information card for entry 1518959

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Coordinates	1518959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H124 Cu3 Hf6 N12 O32
Calculated formula	C216 H120 Cu3 Hf6 N12 O32
Title of publication	Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses
Authors of publication	Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	6
Pages of publication	3466
a	25.357 ± 0.0001 Å
b	25.357 ± 0.0001 Å
c	25.357 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	16304 ± 0.11 Å³
Cell temperature	293.01 ± 0.1 K
Ambient diffraction temperature	293.01 ± 0.1 K
Number of distinct elements	6
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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