Information card for entry 7113536

Structure parameters

• Formula: C49 H33 N6 Ni3 O18
• Calculated formula: C49 H33 N6 Ni3 O18
• Title of publication: Designed layer assembly: a three-dimensional framework with 74% extra-framework volume by connection of infinite two-dimensional sheets
• Authors of publication: Prior, T. J.; Bradshaw, D.; Teat, S. J.; Rosseinsky, M. J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 500 - 501
• a: 33.5211 ± 0.001 Å
• b: 33.5211 ± 0.001 Å
• c: 11.3015 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10997.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.1469
• Weighted residual factors for significantly intense reflections: 0.3414
• Weighted residual factors for all reflections included in the refinement: 0.3591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.6867 Å
• Diffraction radiation type: Synchrotron
• Duplicate of: 7103978
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No