Crystallography Open Database

Information card for entry 7718300

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Coordinates	7718300.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Briq)2IrMe
Chemical name	(methyl)bis(N-(2,6-dibromophenyl)-4,6-di-tert-butyl-iminoxolene)iridium
Formula	C41 H49 Br4 Ir N2 O2
Calculated formula	C41 H49 Br4 Ir N2 O2
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	14.4389 ± 0.0012 Å
b	10.055 ± 0.0008 Å
c	29.257 ± 0.002 Å
α	90°
β	101.06 ± 0.002°
γ	90°
Cell volume	4168.7 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0398
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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.	7718300.cif
298394	2025-03-12	cif/ Adding structures of 7718295, 7718296, 7718297, 7718298, 7718299, 7718300, 7718301 via cif-deposit CGI script.	7718300.cif