Information card for entry 4064987

Structure parameters

• Formula: C36 H50 N4 O2
• Calculated formula: C36 H50 N4 O2
• SMILES: c1(c(c(C)c(c(c1C)/N=N/c1ccc(OCCCCCCC)cc1)C)/N=N/c1ccc(OCCCCCCC)cc1)C
• Title of publication: Tetrapalladium(II) Bisazobenzene and Azoazoxybenzene Complexes: Syntheses, Electronic Structures, and Optical Properties
• Authors of publication: Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 4910
• a: 5.4082 ± 0.0009 Å
• b: 9.1179 ± 0.0015 Å
• c: 16.912 ± 0.003 Å
• α: 98.067 ± 0.003°
• β: 96.34 ± 0.003°
• γ: 102.416 ± 0.003°
• Cell volume: 797.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No