Information card for entry 7010651

Structure parameters

• Formula: C14 H32 Cl2 N6 Ni O8
• Calculated formula: C14 H32 Cl2 N6 Ni O8
• Title of publication: Structural, spectroscopic and electrochemical studies of nickel(II) “sandwich” complexes with ligands featuring tethered 1,4,7-triazacyclononane macrocycles †
• Authors of publication: Graham, Bim; Spiccia, Leone; Bond, Alan M.; Hearn, Milton T. W.; Kepert, Christopher M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 2232
• a: 14.1402 ± 0.0002 Å
• b: 9.6023 ± 0.0001 Å
• c: 16.4655 ± 0.0002 Å
• α: 89°
• β: 89°
• γ: 90°
• Cell volume: 2234.98 ± 0.05 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0424
• Goodness-of-fit parameter for significantly intense reflections: 4.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No