Crystallography Open Database

Information card for entry 7206176

7206175 << 7206176 >> 7206177

Preview

Coordinates	7206176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H157 Cl N56 O63 Rb2
Calculated formula	C96 H96 Cl N56 O38 Rb2
Title of publication	Hydroquinone-induced framework based on direct coordination of rubidium ions to cucurbit[7]uril
Authors of publication	Chen, Kai; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang; Wei, Gang
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	16
Pages of publication	5105
a	27.994 ± 0.004 Å
b	27.994 ± 0.004 Å
c	19.391 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	15196 ± 6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1835
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
180392 (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 7/20/61.	7206176.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206176.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206176.cif
23567	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206176 via cif-deposit CGI script.	7206176.cif