Information card for entry 7054822

Structure parameters

• Formula: C36 H54 Ir Lu N2 O Si
• Calculated formula: C36 H52 Ir Lu N2 O Si
• SMILES: [Ir]12345(N(C(C)(C)C)[Lu]6789%10([N]#Cc%11ccccc%11)(OC(=C)[Si]([CH2]17)(C)C)[c]1([c]6([c]%10([c]9([c]81C)C)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: 9.431 ± 0.002 Å
• b: 10.568 ± 0.003 Å
• c: 18.813 ± 0.005 Å
• α: 85.387 ± 0.004°
• β: 79.968 ± 0.003°
• γ: 74.367 ± 0.003°
• Cell volume: 1777 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No