Information card for entry 4309869

Structure parameters

• Formula: C108 H140 N4 O20 Zn
• Calculated formula: C108 H140 N4 O20 Zn
• SMILES: c12ccc3=C(c4ccc5C(=c6ccc7C(=c8ccc(=C1c1ccc(cc1)C(C)(C)C)n8[Zn]([n]23)([n]67)(n45)([O]1CCCC1)[O]1CCCC1)c1c(cc(cc1CC(C(=O)OCC)C(=O)OCC)C(C)(C)C)CC(C(=O)OCC)C(=O)OCC)c1ccc(cc1)C(C)(C)C)c1c(cc(cc1CC(C(=O)OCC)C(=O)OCC)C(C)(C)C)CC(C(=O)OCC)C(=O)OCC.C1CCCO1.C1CCCO1
• Title of publication: Kinetic and Mechanistic Studies on the Reaction of Nitric Oxide with a Water-Soluble Octa-anionic Iron(III) Porphyrin Complex
• Authors of publication: Joo-Eun Jee; Siegfried Eigler; Frank Hampel; Norbert Jux; Maria Wolak; Achim Zahl; Grazyna Stochel; Rudi van Eldik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7717 - 7731
• a: 13.0099 ± 0.0002 Å
• b: 13.5022 ± 0.0003 Å
• c: 16.3638 ± 0.0004 Å
• α: 70.651 ± 0.001°
• β: 80.928 ± 0.001°
• γ: 68.97 ± 0.001°
• Cell volume: 2529.04 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No