Crystallography Open Database

Information card for entry 7048308

Preview

Coordinates	7048308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H25 F4 Ir N4 O2
Calculated formula	C34 H25 F4 Ir N4 O2
Title of publication	Tuning the electrochemiluminescent properties of iridium complexes of N-heterocyclic carbene ligands.
Authors of publication	Quan, Linh M.; Stringer, Bradley D.; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Barbante, Gregory J.; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	2
Pages of publication	653 - 663
a	10.383 ± 0.0003 Å
b	10.6683 ± 0.0003 Å
c	13.4176 ± 0.0004 Å
α	76.274 ± 0.002°
β	82.985 ± 0.002°
γ	84.99 ± 0.002°
Cell volume	1430.37 ± 0.07 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
224133 (current)	2019-11-07	cif/ Updating files of 7048306, 7048307, 7048308, 7048309 Original log message: Adding full bibliography for 7048306--7048309.cif.	7048308.cif
212418	2018-12-07	cif/ Adding structures of 7048306, 7048307, 7048308, 7048309 via cif-deposit CGI script.	7048308.cif