Crystallography Open Database

Information card for entry 7208926

7208925 << 7208926 >> 7208927

Preview

Coordinates	7208926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H106 N27 O38 Yb
Calculated formula	C60 H72 N27 O25 Yb
Title of publication	Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil
Authors of publication	Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	4
Pages of publication	738
a	15.8602 ± 0.0007 Å
b	15.9685 ± 0.0006 Å
c	18.0548 ± 0.0008 Å
α	74.91 ± 0.001°
β	89.449 ± 0.002°
γ	63.404 ± 0.001°
Cell volume	3917.4 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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	0.0341
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
180420 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/89.	7208926.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208926.cif
73544	2013-02-20	cif/ Adding structures of 7208921, 7208922, 7208923, 7208924, 7208925, 7208926, 7208927, 7208928, 7208929, 7208930, 7208931, 7208932, 7208933, 7208934, 7208935 via cif-deposit CGI script.	7208926.cif