Information card for entry 7007564

Structure parameters

• Common name: HolTH02
• Formula: C44 H60 N4
• Calculated formula: C44 H60 N4
• SMILES: N(=C(\Cc1c2ccccc2c(CC(=N\c2c(cccc2C(C)C)C(C)C)/C(C)(C)C)nn1)C(C)(C)C)\c1c(cccc1C(C)C)C(C)C
• Title of publication: A dinucleating ligand related to the beta-diketiminates.
• Authors of publication: Hebden, Travis J.; Brennessel, William W.; Flaschenriem, Christine J.; Holland, Patrick L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 32
• Pages of publication: 3855 - 3857
• a: 17.384 ± 0.003 Å
• b: 17.457 ± 0.003 Å
• c: 13.119 ± 0.002 Å
• α: 90°
• β: 100.347 ± 0.003°
• γ: 90°
• Cell volume: 3916.5 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No