Crystallography Open Database

Information card for entry 7128563

Preview

Coordinates	7128563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 F6 I N4 O7 S2
Calculated formula	C15 H13 F6 I N4 O7 S2
Title of publication	Pseudocyclic bis-N-heterocycle-stabilized iodanes - synthesis, characterization and applications.
Authors of publication	Boelke, Andreas; Sadat, Soleicha; Lork, Enno; Nachtsheim, Boris J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	60
Pages of publication	7434 - 7437
a	8.7421 ± 0.0002 Å
b	22.1857 ± 0.0006 Å
c	11.8409 ± 0.0003 Å
α	90°
β	93.675 ± 0.001°
γ	90°
Cell volume	2291.82 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.0233
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0439
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
268576 (current)	2021-09-06	cif/ Updating files of 7128563 Original log message: Adding full bibliography for 7128563.cif.	7128563.cif
266755	2021-06-29	cif/ Adding structures of 7128563 via cif-deposit CGI script.	7128563.cif