Crystallography Open Database

Information card for entry 7718297

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Coordinates	7718297.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Briq)2IrI . C3H6O
Chemical name	Bis(N-(2,6-dibromo)-4,6-di-tert-butyl-iminoxolene)iodoiridium acetone solvate
Formula	C43 H52 Br4 I Ir N2 O3
Calculated formula	C43 H52 Br4 I Ir N2 O3
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	10.202 ± 0.002 Å
b	15.082 ± 0.003 Å
c	29.489 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4537.4 ± 1.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
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.	7718297.cif
298394	2025-03-12	cif/ Adding structures of 7718295, 7718296, 7718297, 7718298, 7718299, 7718300, 7718301 via cif-deposit CGI script.	7718297.cif