Information card for entry 2006091

Structure parameters

• Chemical name: Sodium (μ-hydroxo)-bis(1,10-phenanthroline-N,N')- bis(thiosulfate-S)-di-Zinc(II), 4.35 hydrate, 0.85 methanol solvate
• Formula: C28.85 H37.1 N4 Na O12.2 S4 Zn2
• Calculated formula: C28.85 H37.1 N4 Na O12.2 S4 Zn2
• SMILES: Cc1[n]2c3c4[n](c(ccc4ccc3cc1)C)[Zn]1(SS(=O)(=O)O3)[OH][Zn]2([n]2c(ccc4c2c2[n]1c(C)ccc2cc4)C)SS(=O)(=O)O[Na]3([OH2])([OH2])[OH2].CO.O.O
• Title of publication: Sodium Bis(2,9-dimethyl-1,10-phenanthroline)-μ-hydroxo-di(thiosulfato)dizinc(II) Pentahydrate Methanol Solvate
• Authors of publication: Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 551 - 554
• a: 10.358 ± 0.002 Å
• b: 13.627 ± 0.003 Å
• c: 13.872 ± 0.003 Å
• α: 90.16 ± 0.01°
• β: 98.47 ± 0.01°
• γ: 103.23 ± 0.01°
• Cell volume: 1883.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for all reflections: 0.96
• Goodness-of-fit parameter for significantly intense reflections: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No