Crystallography Open Database

Information card for entry 7026982

Preview

Coordinates	7026982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H44 I2 K2 N2 O9
Calculated formula	C20 H44 I2 K2 N2 O9
Title of publication	Substituted diazacrown ethers. Synthesis, spectral characterization and single-crystal structures of C20H42N2O8(NaI)2·H2O and C20H42N2O8(KI)2·H2O
Authors of publication	Kılıç, Zeynel; Yıldız, Mustafa; Hökelek, Tuncer; Erdoǧan, Baki
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	21
Pages of publication	3635
a	9.678 ± 0.002 Å
b	9.68 ± 0.001 Å
c	17.648 ± 0.002 Å
α	81.22 ± 0.02°
β	81.2 ± 0.02°
γ	70.46 ± 0.02°
Cell volume	1530.6 ± 0.4 Å³
Cell temperature	298 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	0.05
Weighted residual factors for significantly intense reflections	0.065
Goodness-of-fit parameter for significantly intense reflections	1.37
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277806 (current)	2022-09-13	cif/7/02/69/ (saulius@tasmanijos-velnias) Fixing the number syntax issues in the COD endtry 7026982. Using structured issue description and changelog entries to describe the changes.	7026982.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026982.cif
94895	2014-01-28	cif/ Adding structures of 7026981, 7026982 via cif-deposit CGI script.	7026982.cif