Crystallography Open Database

Information card for entry 4341402

Preview

Coordinates	4341402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H34.5 Cl2 F6 Ir N6 O0.25 P
Calculated formula	C43 H34 Cl2 F6 Ir N6 O0.25 P
Title of publication	Tuning the Emission Lifetime in Bis-cyclometalated Iridium(III) Complexes Bearing Iminopyrene Ligands.
Authors of publication	Howarth, Ashlee J.; Davies, David L.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141027150422006
a	9.083 ± 0.002 Å
b	15.227 ± 0.004 Å
c	28.551 ± 0.007 Å
α	90°
β	92.521 ± 0.005°
γ	90°
Cell volume	3945 ± 1.7 Å³
Cell temperature	90 ± 0.1 K
Ambient diffraction temperature	90 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341402.cif
126012	2014-10-30	cif/ Adding structures of 4341402, 4341403 via cif-deposit CGI script.	4341402.cif