Crystallography Open Database

Information card for entry 7115219

Preview

Coordinates	7115219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 Cl N2 O10
Calculated formula	C23 H29 Cl N2 O10
SMILES	C1COCCOc2ccccc2OCCOCCOc2ccccc2O1.c1[nH]cc[nH+]1.[O-]Cl(=O)(=O)=O
Title of publication	Polar crystals with one-dimensional arrays from achiral components: crystal structures of 2:2 complexes of dibenzo-18-crown-6‒imidazolium and pyrazolium perchlorates
Authors of publication	Kiviniemi, Sari; Sillanpää, Atte; Lämsä, Markku T.; Pursiainen, Jouni; Nissinen, Maija; Rissanen, Kari
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	10
Pages of publication	897
a	17.802 ± 0.004 Å
b	14.255 ± 0.004 Å
c	12.199 ± 0.003 Å
α	90°
β	129.34 ± 0.01°
γ	90°
Cell volume	2394.2 ± 1.1 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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
180266 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/52.	7115219.cif
120145	2014-07-12	cif/ Adding structures of 7115219, 7115220 via cif-deposit CGI script.	7115219.cif