Information card for entry 4300169

Structure parameters

• Formula: C35 H43 N4 O2 Pd
• Calculated formula: C35 H43 N4 O2 Pd
• SMILES: C1(=O)C(=C(C2N1[Pd]13N4C(=O)C(=C(C4=Cc4c(c(c(=Cc5c(c(c(C=2)n15)CC)CC)[n]34)CC)CC)CC)CC)CC)CC
• Title of publication: Redox Characteristics of Nickel and Palladium Complexes of the Open-Chain Tetrapyrrole Octaethylbilindione: A Biliverdin Model
• Authors of publication: Pamela A. Lord; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1128 - 1134
• a: 13.274 ± 0.003 Å
• b: 18.655 ± 0.004 Å
• c: 14.114 ± 0.003 Å
• α: 90°
• β: 116 ± 0.03°
• γ: 90°
• Cell volume: 3141.3 ± 1.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No