Information card for entry 4300170

Structure parameters

• Formula: C35 H43 I3 N4 Ni O2
• Calculated formula: C35 H43 I3 N4 Ni O2
• SMILES: C1(=O)C(=C(C2=Cc3c(c(c4=Cc5c(c(c6=CC7N([Ni](N12)([n]34)[n]56)C(=O)C(=C7CC)CC)CC)CC)CC)CC)CC)CC.[I-](I)I
• 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: 15.121 ± 0.003 Å
• b: 16.777 ± 0.003 Å
• c: 14.628 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3710.9 ± 1.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No