Information card for entry 7111170

Structure parameters

• Formula: C48 H78 Cl8 Co4 N24 O27
• Calculated formula: C48 H24 Cl8 Co4 N24 O28.08
• Title of publication: A microporous framework from a magnetic molecular square: [Co(HAT)Cl2]4 (HAT = 1,4,5,8,9,11-hexaazatriphenylene)
• Authors of publication: Galán-Mascarós, José R.; Dunbar, Kim R.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 217
• a: 17.663 ± 0.003 Å
• b: 17.663 ± 0.003 Å
• c: 12.171 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3797.1 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 134
• Hermann-Mauguin space group symbol: P 42/n n m :2
• Hall space group symbol: -P 4ac 2bc
• Residual factor for all reflections: 0.2417
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.4082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No