Crystallography Open Database

Information card for entry 4105064

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Coordinates	4105064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H36 N2 O8 Si Zn2
Calculated formula	C51 H36 N2 O8 Si Zn2
Title of publication	Selective Bifunctional Modification of a Non-catenated Metal-Organic Framework Material via "Click" Chemistry
Authors of publication	Tendai Gadzikwa; Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp; SonBinh T. Nguyen
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	13613 - 13615
a	11.8137 ± 0.0008 Å
b	15.5303 ± 0.0011 Å
c	16.3912 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3007.3 ± 0.4 Å³
Cell temperature	190 ± 0.3 K
Ambient diffraction temperature	190 ± 0.3 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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