Crystallography Open Database

Information card for entry 7009010

Preview

Coordinates	7009010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 I3 O7
Calculated formula	C20 H24 I3 O7
Title of publication	Investigations of the polyiodides H3O·Ix (x = 3, 5 or 7) as dibenzo-18-crown-6 complexes
Authors of publication	Kloo, Lars; Svensson, Per H.; Taylor, Michael J.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	7
Pages of publication	1061
a	14.46 ± 0.004 Å
b	22.065 ± 0.01 Å
c	16.364 ± 0.005 Å
α	90°
β	101.81 ± 0.01°
γ	90°
Cell volume	5111 ± 3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0432
Goodness-of-fit parameter for significantly intense reflections	1.781
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009010.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009010.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009010.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009010.cif