Information card for entry 7025080

Structure parameters

• Formula: C37 H41 N9
• Calculated formula: C37 H41 N9
• SMILES: CC1(C)CCC(c2nc(c3cccc(c4nc(ccc4)c4cccc(n4)c4nc5C(C)(CCC(C)(c5nn4)C)C)n3)nnc12)(C)C
• Title of publication: Interaction of 6,6′′-bis(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-yl)-2,2′:6′,2′′-terpyridine (CyMe4-BTTP) with some trivalent ions such as lanthanide(iii) ions and americium(iii)
• Authors of publication: Lewis, Frank W.; Harwood, Laurence M.; Hudson, Michael J.; Drew, Michael G. B.; Modolo, Giuseppe; Sypula, Michal; Desreux, Jean F.; Bouslimani, Nouri; Vidick, Geoffrey
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 21
• Pages of publication: 5172
• a: 9.76 ± 0.002 Å
• b: 10.7312 ± 0.0019 Å
• c: 31.542 ± 0.007 Å
• α: 90 ± 0.016°
• β: 95.132 ± 0.018°
• γ: 90 ± 0.016°
• Cell volume: 3290.4 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No