Crystallography Open Database

Information card for entry 7210777

Preview

Coordinates	7210777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H64 Cl5 Er N14 O28.5 Zn
Calculated formula	C21 H21 Cl5 Er N14 O12 Zn
Title of publication	Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations
Authors of publication	Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	19
Pages of publication	3943
a	26.4821 ± 0.0016 Å
b	18.9227 ± 0.0012 Å
c	19.9297 ± 0.0013 Å
α	90°
β	104.577 ± 0.002°
γ	90°
Cell volume	9665.5 ± 1.1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7210777.cif
90119	2013-11-17	cif/ Adding structures of 7210768, 7210769, 7210770, 7210771, 7210772, 7210773, 7210774, 7210775, 7210776, 7210777, 7210778 via cif-deposit CGI script.	7210777.cif