Information card for entry 7017262

Structure parameters

• Formula: C36 H48 N2
• Calculated formula: C36 H48 N2
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C/c1c(c(c(/C=N/c2c(C(C)C)cccc2C(C)C)c(c1C)C)C)C
• Title of publication: Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.
• Authors of publication: Hart, John S.; Parsons, Simon; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12025 - 12027
• a: 8.4355 ± 0.0009 Å
• b: 23.1135 ± 0.0012 Å
• c: 9.0064 ± 0.0009 Å
• α: 90°
• β: 117.123 ± 0.013°
• γ: 90°
• Cell volume: 1562.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0933
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No