Crystallography Open Database

Information card for entry 1518957

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Coordinates	1518957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H124 Cu3 N12 O32 Zr6
Calculated formula	C216 H120 Cu3 N12 O32 Zr6
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	25.4213 ± 0.0002 Å
b	25.4213 ± 0.0002 Å
c	25.4213 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	16428.3 ± 0.2 Å³
Cell temperature	293 ± 0.1 K
Ambient diffraction temperature	293 ± 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	0.0776
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1814
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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