Information card for entry 7008966

Structure parameters

• Formula: C39 H36 F12 N8 Ni P2 S2
• Calculated formula: C39 H36 F12 N8 Ni P2 S2
• Title of publication: Synthesis of two covalently linked bis(2,2':6',2″-terpyridine) (terpy) chelating ligands with different length spacers, comparison of the crystal structures of their mononuclear nickel(II) complexes, and kinetic and mechanistic studies of the reaction of one ligand with [Fe(terpy)2]2+
• Authors of publication: Priimov, Gleb U.; Moore, Peter; Maritim, Philip K.; Butalanyi, Pamela K.; Alcock, Nathaniel W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 445
• a: 12.4137 ± 0.001 Å
• b: 26.0069 ± 0.001 Å
• c: 13.3715 ± 0.001 Å
• α: 90°
• β: 99.644 ± 0.004°
• γ: 90°
• Cell volume: 4255.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1134
• Weighted residual factors for significantly intense reflections: 0.1036
• Goodness-of-fit parameter for all reflections: 0.986
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No