Crystallography Open Database

Information card for entry 4107995

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Coordinates	4107995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H28 N4 O12 Zn2
Calculated formula	C56 H28 N4 O12 Zn2
Title of publication	Separating Solids: Purification of Metal-Organic Framework Materials
Authors of publication	Omar K. Farha; Karen L. Mulfort; Alison M. Thorsness; Joseph T. Hupp
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	8598 - 8599
a	12.935 Å
b	23.242 ± 0.0012 Å
c	12.935 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3888.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.176
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.2275
Weighted residual factors for all reflections included in the refinement	0.2438
Goodness-of-fit parameter for all reflections included in the refinement	0.779
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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