Crystallography Open Database

Information card for entry 4120255

4120254 << 4120255 >> 4120256

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Coordinates	4120255.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bio-MOF-102
Formula	C52 H32 N16 O13 Zn4
Calculated formula	C52 H32 N16 O13 Zn4
Title of publication	Stepwise Ligand Exchange for the Preparation of a Family of Mesoporous MOFs
Authors of publication	Tao Li; Mark T. Kozlowski; Evan A. Doud; Maike N. Blakely; Nathaniel L. Rosi
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	11688 - 11691
a	75.2379 ± 0.0013 Å
b	75.2379 ± 0.0013 Å
c	75.2379 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	425902 ± 13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.2843
Residual factor for significantly intense reflections	0.238
Weighted residual factors for significantly intense reflections	0.5382
Weighted residual factors for all reflections included in the refinement	0.5803
Goodness-of-fit parameter for all reflections included in the refinement	2.616
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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