Crystallography Open Database

Information card for entry 1514757

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Coordinates	1514757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H178 Co6 N14 O46
Calculated formula	C72 H40 Co6 O26
Title of publication	Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters
Authors of publication	Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	8
Pages of publication	3232
a	27.2496 ± 0.0001 Å
b	27.2496 ± 0.0001 Å
c	27.2496 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	20233.9 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.1667
Residual factor for significantly intense reflections	0.1274
Weighted residual factors for significantly intense reflections	0.322
Weighted residual factors for all reflections included in the refinement	0.352
Goodness-of-fit parameter for all reflections included in the refinement	1.591
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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