Information card for entry 4339712

Structure parameters

• Formula: C34 H37 N3 O3 Pd
• Calculated formula: C34 H37 N3 O3 Pd
• SMILES: [Pd]123n4c(C(=c5[n]2c(C(=O)O1)c(c5C)CC)c1ccc(cc1)C)c(c(c4C=[N]3c1ccccc1)CC)C.O1CCCC1
• Title of publication: Dioxygen activation by diiminodipyrromethane complexes of Ni, Pd, and Pt.
• Authors of publication: Katayev, Evgeny A.; Severin, Kay; Scopelliti, Rosario; Ustynyuk, Yuri A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5465 - 5467
• a: 11.05 ± 0.03 Å
• b: 11.334 ± 0.007 Å
• c: 13.356 ± 0.007 Å
• α: 64.99 ± 0.06°
• β: 73.74 ± 0.11°
• γ: 84.03 ± 0.13°
• Cell volume: 1455 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No