Information card for entry 7102730

Structure parameters

• Formula: C132 H200 N36 Ni8 O62
• Calculated formula: C128 H136 N36 Ni8 O56.84
• Title of publication: Directed assembly of metal-organic cubes from deliberately predesigned molecular building blocks.
• Authors of publication: Liu, Yunling; Kravtsov, Victor; Walsh, Rosa D; Poddar, Pankaj; Srikanth, Hariharan; Eddaoudi, Mohamed
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 2806 - 2807
• a: 16.0856 ± 0.0015 Å
• b: 28.306 ± 0.003 Å
• c: 21.617 ± 0.002 Å
• α: 90°
• β: 102.189 ± 0.002°
• γ: 90°
• Cell volume: 9621 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1563
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2793
• Weighted residual factors for all reflections included in the refinement: 0.3106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No