Information card for entry 7224492

Structure parameters

• Formula: C26 H26 Br2 N4 O10 Pd
• Calculated formula: C26 H26 Br2 N4 O10 Pd
• SMILES: c1(ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](Cc2ccc(C(=O)O)cc2)cc1)C(=O)O.Br[Pd](N(=O)=O)(N(=O)=O)Br.O.O
• Title of publication: The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks
• Authors of publication: Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2189
• a: 8.1476 ± 0.0017 Å
• b: 8.2521 ± 0.0018 Å
• c: 12.398 ± 0.003 Å
• α: 80.843 ± 0.008°
• β: 72.38 ± 0.007°
• γ: 67.642 ± 0.007°
• Cell volume: 733.8 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No