Crystallography Open Database

Information card for entry 7700138

Preview

Coordinates	7700138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H57 Co N14 O22
Calculated formula	C41 H37 Co N14 O12
Title of publication	Syntheses and magnetic properties of high-dimensional cucurbit[6]uril-based metal-organic rotaxane frameworks.
Authors of publication	Wu, Xue-Song; Bao, Hong-Fei; Zhu, Fu-Long; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	27
Pages of publication	9939 - 9943
a	13.868 ± 0.005 Å
b	14.824 ± 0.005 Å
c	25.364 ± 0.005 Å
α	90°
β	92.949 ± 0.005°
γ	90°
Cell volume	5207 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.02 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.159
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
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
223866 (current)	2019-11-07	cif/ Updating files of 7700136, 7700137, 7700138 Original log message: Adding full bibliography for 7700136--7700138.cif.	7700138.cif
215672	2019-06-04	cif/ Adding structures of 7700136, 7700137, 7700138 via cif-deposit CGI script.	7700138.cif