Crystallography Open Database

Information card for entry 7703679

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Coordinates	7703679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H110 Cu7 N28 O55
Calculated formula	C70 H106 Cu7 N28 O55
Title of publication	Syntheses of cucurbit[6]uril-based metal-organic rotaxane networks by the anion regulation strategy and their proton conduction properties.
Authors of publication	Wu, Xue-Song; Cheng, Dong-Ming; Wang, Xin-Long; Sun, Jing; Zang, Hong-Ying; Su, Zhong-Min
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	6
Pages of publication	1747 - 1751
a	12.758 ± 0.005 Å
b	14.636 ± 0.005 Å
c	14.677 ± 0.005 Å
α	80.719 ± 0.005°
β	68.722 ± 0.005°
γ	84.291 ± 0.005°
Cell volume	2517.8 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248775 (current)	2020-03-04	cif/ Adding structures of 7703678, 7703679 via cif-deposit CGI script.	7703679.cif