Information card for entry 4508522

Structure parameters

• Formula: C22 H42 N4 Na2 O20 S2
• Calculated formula: C22 H42 N4 Na2 O20 S2
• SMILES: c12ccccc1NN=C(C(C)=[O][Na]1([OH2])(OS2(=O)=O)([OH2])[OH2][Na]2([O]=C(C(C(=O)C)=NNc3c(cccc3)S(=O)(=O)O2)C)([OH2])([OH2])[OH2]1)C(=O)C.O.O.O.O
• Title of publication: Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones
• Authors of publication: Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 5076
• a: 6.7694 ± 0.0003 Å
• b: 11.5358 ± 0.0005 Å
• c: 11.5612 ± 0.0005 Å
• α: 78.143 ± 0.002°
• β: 88.395 ± 0.003°
• γ: 82.401 ± 0.002°
• Cell volume: 875.8 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No