Information card for entry 7017932

Structure parameters

• Chemical name: [my2-(1,4-bis(4-nitrosophenyl)piperazin-N,N)bis (dichlorido-(eta5-pentamethyl-cyclopentadienyl)-iridium(III))]
• Formula: C41 H51 Cl19 Ir2 N4 O2
• Calculated formula: C40.5 H50.5 Cl17.5 Ir2 N4 O2
• SMILES: [Ir]1234(Cl)(Cl)([N](=O)c5ccc(N6CCN(CC6)c6ccc([N]([Ir]789%10(Cl)(Cl)[c]%11([c]7([c]8([c]9([c]%10%11C)C)C)C)C)=O)cc6)cc5)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: 1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).
• Authors of publication: Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2176 - 2186
• a: 15.666 ± 0.0004 Å
• b: 17.5276 ± 0.0005 Å
• c: 23.5115 ± 0.0006 Å
• α: 101.118 ± 0.001°
• β: 95.346 ± 0.002°
• γ: 97.882 ± 0.002°
• Cell volume: 6227.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0667
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No