Information card for entry 7054819

Structure parameters

• Formula: C35 H60 Ir N2 Sc Si2
• Calculated formula: C35 H60 Ir N2 Sc Si2
• SMILES: [Ir]12345(N(C(C)(C)C)[Sc]6789([n]%10ccccc%10)(C1[Si](C)(C)C)[c]1([c]6([c]9([c]8([c]71C)C)C)C)[Si](C)(C)C)[c]1([c]3([c]4([c]5([c]21C)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: 9.6879 ± 0.001 Å
• b: 10.9527 ± 0.0011 Å
• c: 18.836 ± 0.002 Å
• α: 73.159 ± 0.001°
• β: 85.811 ± 0.002°
• γ: 78.961 ± 0.001°
• Cell volume: 1877.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No