Crystallography Open Database

Information card for entry 7119757

7119756 << 7119757 >> 7119758

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Coordinates	7119757.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 4 3-aminobenzenesulfonate anion_ 8.5 H2O
Formula	C62 H58 N14 O20.5 S4
Calculated formula	C62 H58 N14 O20.5 S4
Title of publication	Discrete 1 : 1 complexes and higher order assemblies formed from aminobenzene sulphonate anions and a tetraimidazolium "molecular box".
Authors of publication	Wang, Cai-Ling; Zhou, Li; Zhang, Lei; Xiang, Jun-Feng; Rambo, Brett M.; Sessler, Jonathan L.; Gong, Han-Yuan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	26
Pages of publication	3669 - 3672
a	14.779 ± 0.008 Å
b	15.437 ± 0.008 Å
c	17.69 ± 0.009 Å
α	92.382 ± 0.007°
β	109.532 ± 0.006°
γ	112.414 ± 0.0006°
Cell volume	3449 ± 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	0.0883
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1804
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
194960 (current)	2017-04-05	cif/ Updating files of 7119757 Original log message: Adding full bibliography for 7119757.cif.	7119757.cif
194020	2017-03-07	cif/ Adding structures of 7119757 via cif-deposit CGI script.	7119757.cif