Information card for entry 7007622

Structure parameters

• Formula: C72 H96 Cl2 In2 N4
• Calculated formula: C72 H96 Cl2 In2 N4
• SMILES: C1=C(C=[N]([In](Cl)([In]2(Cl)[N](=CC(=CN2c2c(cccc2C(C)C)C(C)C)c2ccccc2)c2c(cccc2C(C)C)C(C)C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1.CCCCCC
• 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: 13.3062 ± 0.0002 Å
• b: 13.9612 ± 0.0002 Å
• c: 18.5787 ± 0.0002 Å
• α: 90°
• β: 95.975 ± 0.001°
• γ: 90°
• Cell volume: 3432.62 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No