Information card for entry 7054818

Structure parameters

• Formula: C28 H49 Ir Lu N Si
• Calculated formula: C28 H47 Ir Lu N Si
• SMILES: [Ir]23456(N(C(C)(C)C)[Lu]789%10%12(C[Si](C)(C)[CH2]2%12)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity
• Authors of publication: Shima, Takanori; Yanagi, Takako; Hou, Zhaomin
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7608
• a: 9.3823 ± 0.0011 Å
• b: 20.167 ± 0.002 Å
• c: 16.4339 ± 0.0019 Å
• α: 90°
• β: 99.864 ± 0.002°
• γ: 90°
• Cell volume: 3063.5 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.1231
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No