Crystallography Open Database

Information card for entry 4118602

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Coordinates	4118602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C264 H168 O64 Zr12
Calculated formula	C264 H168 O64 Zr12
Title of publication	Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal-Organic Frameworks
Authors of publication	Hai-Long Jiang; Dawei Feng; Tian-Fu Liu; Jian-Rong Li; Hong-Cai Zhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	14690 - 14693
a	32.6003 ± 0.0011 Å
b	32.6003 ± 0.0011 Å
c	32.6003 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	34647 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1276
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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