Crystallography Open Database

Information card for entry 1514756

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Coordinates	1514756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H106 Co3 N8 O31
Calculated formula	C57 H31 Co3 N O16
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	17.446 ± 0.004 Å
b	27.758 ± 0.006 Å
c	18.762 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9086 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1485
Residual factor for significantly intense reflections	0.0917
Weighted residual factors for significantly intense reflections	0.2542
Weighted residual factors for all reflections included in the refinement	0.2809
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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