Crystallography Open Database

Information card for entry 7048013

Preview

Coordinates	7048013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H76 Cl12 F14 Ir2 N10 O2
Calculated formula	C92 H76 Cl12 F14 Ir2 N10 O2
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	24.2045 ± 0.001 Å
b	14.8901 ± 0.0006 Å
c	27.9788 ± 0.0012 Å
α	90°
β	110.265 ± 0.0015°
γ	90°
Cell volume	9459.6 ± 0.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0612
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	7048013.cif
211876	2018-11-10	cif/ Adding structures of 7048013, 7048014 via cif-deposit CGI script.	7048013.cif