Crystallography Open Database

Information card for entry 7035941

Preview

Coordinates	7035941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 Ir2 N4
Calculated formula	C40 H50 Ir2 N4
SMILES	c12[n](ccn1c1c(cc(cc1C)C)C)[Ir]134([CH]5=[CH]1CC[CH]3=[CH]4CC5)[n]1c(n(cc1)c1c(cc(cc1C)C)C)[Ir]1342[CH]2=[CH]1CC[CH]3=[CH]4CC2
Title of publication	Dinuclear iridium and rhodium complexes with bridging arylimidazolide-N(3),C(2) ligands: synthetic, structural, reactivity, electrochemical and spectroscopic studies.
Authors of publication	He, Fan; Ruhlmann, Laurent; Gisselbrecht, Jean-Paul; Choua, Sylvie; Orio, Maylis; Wesolek, Marcel; Danopoulos, Andreas A.; Braunstein, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	39
Pages of publication	17030 - 17044
a	10.533 ± 0.003 Å
b	12.162 ± 0.003 Å
c	14.504 ± 0.004 Å
α	86.57 ± 0.006°
β	85.21 ± 0.006°
γ	69.345 ± 0.006°
Cell volume	1731.6 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.105
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2408
Weighted residual factors for all reflections included in the refinement	0.2547
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
161190 (current)	2015-10-09	cif/ Updating files of 7035941, 7035942, 7035943, 7035944 Original log message: Adding full bibliography for 7035941--7035944.cif.	7035941.cif
152501	2015-07-24	cif/ Adding structures of 7035941, 7035942, 7035943, 7035944 via cif-deposit CGI script.	7035941.cif