Information card for entry 4319742

Structure parameters

• Formula: C14 H24 Cl N4 Ni O7
• Calculated formula: C14 H24 Cl N4 Ni O7
• Title of publication: Synthesis of 14-oxa-1,4,8,11-tetraazabicyclo[9.5.3]nonadecane (L1) and a Spectroscopic and Structural Study of [Ni(L1)(ClO4)](ClO4) and of the Macrobicyclic Precursor Diamide Complex, [Ni(HL2)](ClO4); Chloride Substitution Kinetics of the Corresponding [Ni(III)(L1)]3+ Species
• Authors of publication: M. Rodopoulos; T. Rodopoulos; J. N. Bridson; L. I. Elding; S. J. Rettig; A. McAuley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2737 - 2742
• a: 15.159 ± 0.0003 Å
• b: 13.235 ± 0.002 Å
• c: 18.0195 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3615.2 ± 0.6 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections: 1.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No