Information card for entry 7017934

Structure parameters

• Chemical name: [my2-(1,4-bis(4-nitrosophenyl)piperazin-N,N)bis ((eta5-pentamethyl-cyclopentadienyl)-diiodido-iridium(III))]
• Formula: C37 H48 Cl2 I4 Ir2 N4 O2
• Calculated formula: C36 H46 I4 Ir2 N4 O2
• SMILES: c1c(ccc(c1)N1CCN(c2ccc(cc2)[N](=O)[Ir]2345([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)(I)I)CC1)[N](=O)[Ir]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(I)I
• 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: 27.9917 ± 0.0012 Å
• b: 11.4311 ± 0.0008 Å
• c: 14.4137 ± 0.0008 Å
• α: 90°
• β: 101.264 ± 0.003°
• γ: 90°
• Cell volume: 4523.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No