Information card for entry 7006984

Structure parameters

• Formula: C54 H57 Mo O4 P3 Si3
• Calculated formula: C54 H57 Mo O4 P3 Si3
• SMILES: [Mo]1([P]([Si](C([Si]([P]1(c1ccccc1)c1ccccc1)(C)C)[Si]([P](c1ccccc1)c1ccccc1)(C)C)(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].Cc1ccccc1
• Title of publication: Tuning "kappticity" of tripodal ligands.
• Authors of publication: Friesen, Dawn M.; Bowles, Owen J.; McDonald, Robert; Rosenberg, Lisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 22
• Pages of publication: 2671 - 2682
• a: 14.8482 ± 0.0008 Å
• b: 14.8803 ± 0.0008 Å
• c: 23.9239 ± 0.0013 Å
• α: 90°
• β: 94.4133 ± 0.001°
• γ: 90°
• Cell volume: 5270.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No