Information card for entry 4315619

Structure parameters

• Common name: Ni(Cl4TMTAA).CH2Cl2
• Formula: C23 H20 Cl6 N4 Ni
• Calculated formula: C23 H20 Cl6 N4 Ni
• Title of publication: New Tetraazaannulene Hosts for Fullerenes
• Authors of publication: Jimmy U. Franco; Justin C. Hammons; Daniel Rios; Marilyn M. Olmstead
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5120 - 5125
• a: 14.017 ± 0.003 Å
• b: 16.479 ± 0.003 Å
• c: 22.848 ± 0.004 Å
• α: 73.985 ± 0.003°
• β: 80.445 ± 0.003°
• γ: 76.468 ± 0.003°
• Cell volume: 4902.8 ± 1.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No