Crystallography Open Database

Information card for entry 7030050

Preview

Coordinates	7030050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 Cl2 F4 Ir N9 O6
Calculated formula	C48 H36 Cl2 F4 Ir N9 O6
SMILES	[Ir]123([n]4c(cccc4)c4[n]1n(cc4)Cc1cc(Cn4nc(c5ncccc5)cc4)cc(c1)OC)([n]1c(cccc1)c1c2cc(cc1F)F)[n]1c(cccc1)c1c3cc(cc1F)F.O=N(=O)[O-].ClCCl.O.O
Title of publication	Sensitisation of Eu(iii)- and Tb(iii)-based luminescence by Ir(iii) units in Ir/lanthanide dyads: evidence for parallel energy-transfer and electron-transfer based mechanisms.
Authors of publication	Sykes, Daniel; Cankut, Ahmet J.; Ali, Noorshida Mohd; Stephenson, Andrew; Spall, Steven J. P.; Parker, Simon C.; Weinstein, Julia A.; Ward, Michael D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	17
Pages of publication	6414 - 6428
a	18.9728 ± 0.0008 Å
b	11.4267 ± 0.0006 Å
c	22.2515 ± 0.001 Å
α	90°
β	109.572 ± 0.003°
γ	90°
Cell volume	4545.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0972
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
180006 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/00.	7030050.cif
111164	2014-04-20	cif/ Adding structures of 7030049, 7030050, 7030051 via cif-deposit CGI script.	7030050.cif