Information card for entry 7008967

Structure parameters

• Formula: C38.5 H35 F12 N7 Ni O0.25 P2 S2
• Calculated formula: C38.5 H35 F12 N7 Ni O0.25 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: 26.8148 ± 0.0003 Å
• b: 11.2892 ± 0.0002 Å
• c: 14.9759 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4533.47 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No