Crystallography Open Database

Information card for entry 2023346

2023345 << 2023346 >> 2023347

Preview

Coordinates	2023346.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate
Formula	C36 H28 F6 Ir N4 P
Calculated formula	C36 H28 F6 Ir N4 P
Title of publication	(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)
Authors of publication	Gienau, Trevor J.; Clay, Malachi; Brennessel, William W.; Reed, Carly R.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	2
a	11.413 ± 0.0001 Å
b	17.1627 ± 0.0001 Å
c	31.7109 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6211.46 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0245
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297318 (current)	2025-01-15	cif/ Adding structures of 2023346, 2023347 via cif-deposit CGI script.	2023346.cif