Information card for entry 7055182

Structure parameters

• Formula: C52 H36 Mn2 N8 O8
• Calculated formula: C52 H36 Mn2 N8 O8
• Title of publication: Two-dimensional coordination polymers and metal‒organic gels of symmetrical and unsymmetrical dipyridyl β-diketones: luminescence, dye absorption and mechanical properties
• Authors of publication: Banerjee, Kaustuv; Biradha, Kumar
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 1997
• a: 10.614 ± 0.009 Å
• b: 8.737 ± 0.007 Å
• c: 12.75 ± 0.011 Å
• α: 90°
• β: 112.7 ± 0.02°
• γ: 90°
• Cell volume: 1090.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1163
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No