Information card for entry 7010627

Structure parameters

• Formula: C101 H109 Cl4 N15 Ni2 O15
• Calculated formula: C101 H109 Cl4 N15 Ni2 O15
• Title of publication: Indole-based mono- and poly-nuclear acyclic chelating systems: syntheses and selected transition metal complexes
• Authors of publication: Paul K. Bowyer; David StC. Black; Donald C. Craig; A. David Rae; Anthony C. Willis
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1948 - 1958
• a: 12.952 ± 0.012 Å
• b: 14.602 ± 0.012 Å
• c: 15.286 ± 0.013 Å
• α: 70.36 ± 0.06°
• β: 71.35 ± 0.06°
• γ: 85.15 ± 0.07°
• Cell volume: 2579 ± 4 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 all reflections: 0.152
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections: 1.296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No