Information card for entry 4338782

Structure parameters

• Formula: C27 H37 N Si Zr
• Calculated formula: C27 H37 N Si Zr
• SMILES: [Zr]12345(N(C(C)(C)C)[Si]([c]62[c]3([c]4([c]5([c]61C)C)C)C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: A study on zr-ir multiple bonding active for C-h bond cleavage.
• Authors of publication: Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6634 - 6654
• a: 10.2408 ± 0.0007 Å
• b: 11.294 ± 0.0009 Å
• c: 12.1538 ± 0.0008 Å
• α: 92.86 ± 0.002°
• β: 107.682 ± 0.0016°
• γ: 104.362 ± 0.002°
• Cell volume: 1285.44 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No