Crystallography Open Database

Information card for entry 7209257

7209256 << 7209257 >> 7209258

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Coordinates	7209257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H194 I6 K6 N60 O76
Calculated formula	C96 H103 I6 K6 N60 O34
Title of publication	An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions
Authors of publication	Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	1994
a	24.429 ± 0.004 Å
b	33.425 ± 0.005 Å
c	20.004 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	16334 ± 4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1146
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1956
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
180423 (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 7/20/92.	7209257.cif
75568	2013-03-10	cif/ Adding structures of 7209257, 7209258, 7209259, 7209260, 7209261 via cif-deposit CGI script.	7209257.cif