Information card for entry 7007619

Structure parameters

• Formula: C66 H82 Cl2 In2 N4 S
• Calculated formula: C66 H82 Cl2 In2 N4 S
• SMILES: [In]1(Cl)(S[In]2(Cl)N(C=C(C=[N]2c2c(cccc2C(C)C)C(C)C)c2ccccc2)c2c(cccc2C(C)C)C(C)C)N(C=C(C=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.
• Authors of publication: Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 37
• Pages of publication: 4449 - 4460
• a: 18.6868 ± 0.0002 Å
• b: 12.9207 ± 0.0002 Å
• c: 26.495 ± 0.0004 Å
• α: 90°
• β: 101.491 ± 0.001°
• γ: 90°
• Cell volume: 6268.9 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No