Information card for entry 4339319

Structure parameters

• Formula: C35 H36 Ag N7 O10
• Calculated formula: C35 H36 Ag N7 O10
• SMILES: [Ag]123[n]4c5=C(c6n2c(C(N(=O)=O)=c2[n]1c(c(c2CC)CC)c1[n]3c(=C(N(=O)=O)c4c(c5CC(=O)OC)C)c(c1CC)CC)c(c6CC(=O)OC)C)N(=O)=O
• Title of publication: Functionalization of corroles: the nitration reaction.
• Authors of publication: Stefanelli, Manuela; Mastroianni, Marco; Nardis, Sara; Licoccia, Silvia; Fronczek, Frank R.; Smith, Kevin M.; Zhu, Weihua; Ou, Zhongping; Kadish, Karl M.; Paolesse, Roberto
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10791 - 10799
• a: 9.7991 ± 0.001 Å
• b: 13.8489 ± 0.0016 Å
• c: 14.166 ± 0.002 Å
• α: 62.17 ± 0.004°
• β: 76.617 ± 0.007°
• γ: 88.069 ± 0.007°
• Cell volume: 1647.7 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.046
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No