Crystallography Open Database

Information card for entry 7703866

Preview

Coordinates	7703866.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-iodo-[1,1'-biphenyl]-4,4'-dicarboxylic acid dimethylsulfoxide solvate
Formula	C16 H15 I O5 S
Calculated formula	C16 H15 I O5 S
Title of publication	Hypervalent organoiodine(v) metal-organic frameworks: syntheses, thermal studies and stoichiometric oxidants.
Authors of publication	Bryant, Macguire R.; Richardson, Christopher
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	16
Pages of publication	5167 - 5174
a	8.19869 ± 0.00018 Å
b	8.27594 ± 0.00019 Å
c	13.9191 ± 0.0002 Å
α	86.9929 ± 0.0016°
β	74.1903 ± 0.0017°
γ	69.153 ± 0.002°
Cell volume	848.18 ± 0.03 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251620 (current)	2020-05-05	cif/ Updating files of 7703865, 7703866 Original log message: Adding full bibliography for 7703865--7703866.cif.	7703866.cif
249772	2020-03-27	cif/ Adding structures of 7703865, 7703866 via cif-deposit CGI script.	7703866.cif