Information card for entry 4312554

Structure parameters

• Formula: C44 H36 Ag6 N8 Na4 O28 S6
• Calculated formula: C44 H32 Ag6 N8 Na4 O28 S6
• SMILES: c12[n](cccc2C(=O)[O-])[Ag]234[Ag]567[n]8cccc(c8[S]3[Ag]387[Ag]79([S]%10[Ag]%112([n]2cccc(c2[S]4[Ag]9%11([n]2c%10c(C(=O)[O-])ccc2)[S]8c2c(C(=O)[O-])ccc[n]72)C(=O)[O-])[S]15)[S]6c1[n]3cccc1C(=O)[O-])C(=O)[O-].[NH3+]C(CO)(CO)C(=O)[O-].O.[Na+].O.[Na+].O.[O-]C(=O)C(CO)(CO)[NH3+].O.O.[Na+].O.[Na+].O.O
• Title of publication: Synthesis and Structure of a Water-Soluble Hexanuclear Silver(I) Nicotinate Cluster Comprised of a "Cyclohexane-Chair"-Type of Framework, Showing Effective Antibacterial and Antifungal Activities: Use of "Sparse Matrix" Techniques for Growing Crystals of Water-Soluble Inorganic Complexes
• Authors of publication: Irina Tsyba; Becky Bun-kit Mui; Robert Bau; Ryusuke Noguchi; Kenji Nomiya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8028 - 8032
• a: 12.1119 ± 0.0015 Å
• b: 12.5555 ± 0.0015 Å
• c: 12.6565 ± 0.0015 Å
• α: 62.874 ± 0.002°
• β: 70.151 ± 0.002°
• γ: 84.075 ± 0.002°
• Cell volume: 1608.2 ± 0.3 ų
• Cell temperature: 358 ± 2 K
• Ambient diffraction temperature: 358 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No