Crystallography Open Database

Information card for entry 4108377

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Coordinates	4108377.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZIF-90
Formula	C48 H36 N24 O12 Zn6
Calculated formula	C48 H36 N24 O12 Zn6
Title of publication	Crystals as Molecules: Postsynthesis Covalent Functionalization of Zeolitic Imidazolate Frameworks
Authors of publication	William Morris; Christian J. Doonan; Hiroyasu Furukawa; Rahul Banerjee; Omar M. Yaghi
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12626 - 12627
a	17.2715 ± 0.0004 Å
b	17.2715 ± 0.0004 Å
c	17.2715 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5152.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.1455
Residual factor for significantly intense reflections	0.1447
Weighted residual factors for significantly intense reflections	0.3474
Weighted residual factors for all reflections included in the refinement	0.3497
Goodness-of-fit parameter for all reflections included in the refinement	1.838
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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