Information card for entry 7201465

Structure parameters

• Formula: C28 H28 Ag2 N6 O20
• Calculated formula: C28 H20 Ag2 N6 O20
• SMILES: c1(ccc(c(c1)O)C(=O)O)[NH2][Ag]1([NH2]c2cc(c(cc2)C(=O)O)O)[OH2][Ag]([NH2]c2cc(c(cc2)C(=O)O)O)([NH2]c2cc(c(cc2)C(=O)O)O)[OH2]1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Drug-containing coordination and hydrogen bonding networks obtained mechanochemically
• Authors of publication: Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2618
• a: 7.58 ± 0.005 Å
• b: 7.627 ± 0.005 Å
• c: 17.111 ± 0.005 Å
• α: 92.062 ± 0.005°
• β: 97.578 ± 0.005°
• γ: 118.434 ± 0.005°
• Cell volume: 856.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3692
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.633
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No