Crystallography Open Database

Information card for entry 7108451

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Coordinates	7108451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H133 N27 O47 Zn8
Calculated formula	C117 H133 N27 O47 Zn8
Title of publication	Significant gas uptake enhancement by post-exchange of zinc(II) with copper(II) within a metal-organic framework
Authors of publication	Xiao-Jun Wang; Pei-Zhou Li; Lei Liu; Quan Zhang; Parijat Borah; Jinye Daniel Wong; Xiu Xiang Chan; Ganguly Rakesh; Yongxin Li; Yanli Zhao
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	10286
a	26.436 ± 0.0004 Å
b	26.115 ± 0.0004 Å
c	26.3473 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	18189.5 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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