Information card for entry 7035546

Structure parameters

• Formula: C36 H75 Ba N3 O Si4
• Calculated formula: C36 H75 Ba N3 O Si4
• SMILES: C1(C(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)(C)C)=[Ba](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1
• Title of publication: Group 1 and 2 cyclic (alkyl)(amino)carbene complexes.
• Authors of publication: Turner, Zoë R; Buffet, Jean-Charles
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 12985 - 12989
• a: 12.583 ± 0.0002 Å
• b: 20.8237 ± 0.0004 Å
• c: 17.9449 ± 0.0004 Å
• α: 90°
• β: 93.982 ± 0.002°
• γ: 90°
• Cell volume: 4690.65 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No