Information card for entry 4335193

Structure parameters

• Formula: C11 H18 Cl Ir N4
• Calculated formula: C11 H18 Cl Ir N4
• SMILES: [Ir]123(Cl)(c4n(n[n+](n4)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species
• Authors of publication: Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7031 - 7044
• a: 16.2176 ± 0.0005 Å
• b: 6.707 ± 0.0002 Å
• c: 12.0627 ± 0.0004 Å
• α: 90°
• β: 93.949 ± 0.001°
• γ: 90°
• Cell volume: 1308.96 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No