Crystallography Open Database

Information card for entry 7703678

Preview

Coordinates	7703678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H72 Cl2 Cu3 N28 O26
Calculated formula	C62 H72 Cl2 Cu3 N28 O26
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	11.98 ± 0.005 Å
b	12.321 ± 0.005 Å
c	12.797 ± 0.005 Å
α	76.231 ± 0.005°
β	75.919 ± 0.005°
γ	83.363 ± 0.005°
Cell volume	1776.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7703678.cif