Information card for entry 4325968

Structure parameters

• Formula: C48 H66 N5 O4 Re
• Calculated formula: C48 H66 N5 O4 Re
• SMILES: [Re]1234(Oc5c([N]2=Nc2[n]1cccc2)cc(cc5C(C)(C)C)C(C)(C)C)(Oc1c(N3)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(N4)cc(cc1C(C)(C)C)C(C)(C)C.OC
• Title of publication: Examples of Reductive Azo Cleavage and Oxidative Azo Bond Formation on Re2(CO)10 Template: Isolation and Characterization of Re(III) Complexes of New Azo-Aromatic Ligands
• Authors of publication: Nanda D. Paul; Subhas Samanta; Tapan K. Mondal; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7886 - 7893
• a: 10.579 ± 0.006 Å
• b: 12.786 ± 0.007 Å
• c: 18.829 ± 0.011 Å
• α: 94.595 ± 0.014°
• β: 92.864 ± 0.016°
• γ: 102.871 ± 0.014°
• Cell volume: 2469 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No