Crystallography Open Database

Information card for entry 7206182

7206181 << 7206182 >> 7206183

Preview

Coordinates	7206182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H164 I6 K6 N60 O67
Calculated formula	C104 H102 I6 K6 N60 O47
Title of publication	Stable cucurbit[5]uril MOF structures as ‘beaded’ rings built on a p-hydroxybenzoic acid template—a small molecule absorption material
Authors of publication	Feng, Xing; Chen, Kai; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qiang-Jiang; Tao, Zhu; Day, Anthony I.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	16
Pages of publication	5049
a	23.702 ± 0.003 Å
b	33.368 ± 0.005 Å
c	20.051 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	15858 ± 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	0.1064
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
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.	7206182.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206182.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206182.cif
23569	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206182 via cif-deposit CGI script.	7206182.cif