Crystallography Open Database

Information card for entry 7718298

Preview

Coordinates	7718298.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Briq)2IrNa(THF)2
Formula	C48 H62 Br4 Ir N2 Na O4
Calculated formula	C48 H62 Br4 Ir N2 Na O4
Title of publication	Bis(iminoxolene)iridium complexes over four oxidation states: from sodium-iridium bonding to ligand-centered radicals.
Authors of publication	Nugraha, Kahargyan; Do, Thomas H.; Brown, Seth N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	14
Pages of publication	5896 - 5905
a	29.828 ± 0.0013 Å
b	18.3608 ± 0.0013 Å
c	19.4665 ± 0.001 Å
α	90°
β	114.354 ± 0.002°
γ	90°
Cell volume	9712.5 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0176
Residual factor for significantly intense reflections	0.0169
Weighted residual factors for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.0424
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300901 (current)	2025-07-06	cif/ Updating files of 7718295, 7718296, 7718297, 7718298, 7718299, 7718300, 7718301 Original log message: Adding full bibliography for 7718295--7718301.cif.	7718298.cif
298394	2025-03-12	cif/ Adding structures of 7718295, 7718296, 7718297, 7718298, 7718299, 7718300, 7718301 via cif-deposit CGI script.	7718298.cif