Crystallography Open Database

Information card for entry 2312531

Preview

Coordinates	2312531.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4,7,13,16,21,24-Hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane triiodide iodide hemipenta(diiodine) dichloromethane monosolvate
Formula	C19 H40 Cl2 I9 N2 O6
Calculated formula	C19 H40 Cl2 I9 N2 O6
Title of publication	Formation of extended polyiodides at large cation templates.
Authors of publication	Blake, Alexander J.; Castellano, Carlo; Lippolis, Vito; Podda, Enrico; Schröder, Martin
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	Pt 7
Pages of publication	311 - 318
a	13.831 ± 0.002 Å
b	14.82 ± 0.002 Å
c	20.266 ± 0.003 Å
α	90°
β	96.7 ± 0.01°
γ	90°
Cell volume	4125.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
293985 (current)	2024-08-07	cif/ Updating files of 2312530, 2312531 Original log message: Adding full bibliography for 2312530--2312531.cif.	2312531.cif
292634	2024-06-28	cif/ Adding structures of 2312530, 2312531 via cif-deposit CGI script.	2312531.cif