Information card for entry 4078303

Structure parameters

• Formula: C36 H44 N4 Si
• Calculated formula: C36 H44 N4 Si
• SMILES: [Si]12([N](c3c(C(C)C)cccc3C(C)C)=Cc3[n]1cccc3)[N](c1c(cccc1C(C)C)C(C)C)=Cc1[n]2cccc1
• Title of publication: Mild Reduction Route to a Redox-Active Silicon Complex: Structure and Properties of (IP2‒)2Si and (IP‒)2Mg(THF) (IP = α-Iminopyridine)
• Authors of publication: Summerscales, Owen T.; Myers, Thomas W.; Berben, Louise A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3463
• a: 10.118 ± 0.002 Å
• b: 10.452 ± 0.003 Å
• c: 16.633 ± 0.003 Å
• α: 90.86 ± 0.03°
• β: 90.354 ± 0.017°
• γ: 114.433 ± 0.01°
• Cell volume: 1601.1 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No