Information card for entry 4302777

Structure parameters

• Formula: C40 H31 N5 O3
• Calculated formula: C40 H31 N5 O3
• SMILES: OC1(c2[nH]c(cc2N(=O)=O)c2nc(=C(c3[nH]c(C(=c4nc1cc4)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc2)c1ccc(cc1)C
• Title of publication: Demetalation of Silver(III) Corrolates
• Authors of publication: Manuela Stefanelli; Jing Shen; Weihua Zhu; Marco Mastroianni; Federica Mandoj; Sara Nardis; Zhongping Ou; Karl M. Kadish; Frank R. Fronczek; Kevin M. Smith; Roberto Paolesse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6879 - 6887
• a: 7.7596 ± 0.0005 Å
• b: 11.0531 ± 0.0007 Å
• c: 18.6697 ± 0.001 Å
• α: 96.019 ± 0.005°
• β: 98.975 ± 0.005°
• γ: 96.284 ± 0.005°
• Cell volume: 1559.98 ± 0.17 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No