Crystallography Open Database

Information card for entry 7048014

Preview

Coordinates	7048014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H68 F18 Ir2 N10 O4
Calculated formula	C88 H68 F18 Ir2 N10 O4
Title of publication	Highly luminescent 2-phenylpyridine-free diiridium complexes with bulky 1,2-diarylimidazole cyclometalating ligands.
Authors of publication	Congrave, Daniel G.; Batsanov, Andrei S.; Bryce, Martin R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	46
Pages of publication	16524 - 16533
a	20.0605 ± 0.001 Å
b	13.1557 ± 0.0006 Å
c	30.6755 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	8095.6 ± 0.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
229653 (current)	2019-11-17	cif/ Updating files of 7048013, 7048014 Original log message: Adding full bibliography for 7048013--7048014.cif.	7048014.cif
211876	2018-11-10	cif/ Adding structures of 7048013, 7048014 via cif-deposit CGI script.	7048014.cif