Crystallography Open Database

Information card for entry 7718295

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Coordinates	7718295.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Briq
Chemical name	(E)-2,4-di-tert-butyl-6-((2,6-dibromophenyl)imino)cyclohexa-2,4-dien-1-one
Formula	C20 H23 Br2 N O
Calculated formula	C20 H23 Br2 N O
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	12.1021 ± 0.0017 Å
b	11.6583 ± 0.0016 Å
c	13.935 ± 0.002 Å
α	90°
β	99.375 ± 0.002°
γ	90°
Cell volume	1939.8 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7718295.cif
298394	2025-03-12	cif/ Adding structures of 7718295, 7718296, 7718297, 7718298, 7718299, 7718300, 7718301 via cif-deposit CGI script.	7718295.cif