Crystallography Open Database

Information card for entry 7209258

7209257 << 7209258 >> 7209259

Preview

Coordinates	7209258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H236 I6 K6 N60 O83
Calculated formula	C118 H132 K6 N60 O36
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	25.899 ± 0.002 Å
b	19.5796 ± 0.0017 Å
c	34.39 ± 0.003 Å
α	90°
β	94.006 ± 0.002°
γ	90°
Cell volume	17396 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1988
Residual factor for significantly intense reflections	0.1228
Weighted residual factors for significantly intense reflections	0.2823
Weighted residual factors for all reflections included in the refinement	0.3189
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7209258.cif
75568	2013-03-10	cif/ Adding structures of 7209257, 7209258, 7209259, 7209260, 7209261 via cif-deposit CGI script.	7209258.cif