Crystallography Open Database

Information card for entry 1520681

1520680 << 1520681 >> 1520682

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Coordinates	1520681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H41 Br5 N4 O Zn
Title of publication	Crystal Structures of Salts of Mono- and Triprotonated [36]Adamanzane, 1,5,9,13-Tetraazatricyclo[7.7.3.3(5,13)]docosane, and Equilibrium Studies of the Reactions between Mono-, Di- and Triprotonated Species, Respectively, Having None, One and Two Lone Pairs Pointing Outwards
Authors of publication	Springborg, Johan; Pretzmann, Ulla; Olsen, Carl Erik; Sotofte, Inger
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	289 - 295
a	9.384 ± 0.003 Å
b	9.63 ± 0.003 Å
c	15.31 ± 0.003 Å
α	97.87 ± 0.03°
β	91.23 ± 0.03°
γ	97.77 ± 0.03°
Cell volume	1356.8 ± 0.7 Å³
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2821
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188978 (current)	2016-12-06	cif/ (antanas@echidna.ibt.lt) Replacing dummy atoms with unknown values. This is the standard way of marking entries in the COD that do not contain atom coordinates.	1520681.cif
139676	2015-06-26	cif/ Adding structures of 1520681 via cif-deposit CGI script.	1520681.cif