Crystallography Open Database

Information card for entry 4103786

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Coordinates	4103786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H83 N8 O29 Zn4
Calculated formula	C106 H82 N8 O29 Zn4
Title of publication	Supercritical Processing as a Route to High Internal Surface Areas and Permanent Microporosity in Metal-Organic Framework Materials
Authors of publication	Andrew P. Nelson; Omar K. Farha; Karen L. Mulfort; Joseph T. Hupp
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	458 - 460
a	23.275 ± 0.004 Å
b	25.486 ± 0.004 Å
c	49.521 ± 0.007 Å
α	90°
β	117.409 ± 0.006°
γ	90°
Cell volume	26078 ± 7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2194
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	0.563
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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