Crystallography Open Database

Information card for entry 7018549

Preview

Coordinates	7018549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Cl Ir N4 O3
Calculated formula	C24 H24 Cl Ir N4 O3
Title of publication	Tuning solid state luminescent properties in a hydrogen bonding-directed supramolecular assembly of bis-cyclometalated iridium(iii) ethylenediamine complexes.
Authors of publication	Talarico, Anna Maria; Szerb, Elisabeta Ildyko; Mastropietro, Teresa F.; Aiello, Iolinda; Crispini, Alessandra; Ghedini, Mauro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	16
Pages of publication	4919 - 4926
a	29.092 ± 0.007 Å
b	29.092 ± 0.007 Å
c	15.193 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	11136 ± 5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0198
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.0443
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.203
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7018549.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018549.cif
52131	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018546, 7018547, 7018548, 7018549, 7018550, 7018551 via cif-deposit CGI script.	7018549.cif