Information card for entry 7010652

Structure parameters

• Formula: C27 H71 Cl4 N9 Ni2 O26
• Calculated formula: C27 H51 Cl4 N9 Ni2 O26
• 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: 9.5317 ± 0.0003 Å
• b: 15.6344 ± 0.0005 Å
• c: 16.8035 ± 0.0004 Å
• α: 92.521 ± 0.002°
• β: 91.116 ± 0.002°
• γ: 105.705 ± 0.001°
• Cell volume: 2407 ± 0.12 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.1038
• Goodness-of-fit parameter for significantly intense reflections: 3.895
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No