Information card for entry 7033063

Structure parameters

• Formula: C31 H44 Ag Cl N4 O5
• Calculated formula: C31 H42 Ag Cl N4 O5
• SMILES: [Ag]123([N]4(CC[N]1(CC[N]2(C[C@@H](C)[NH]3[C@H](C4)C)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)OCl(=O)(=O)=O.O
• Title of publication: Argentivorous molecules bearing three aromatic side arms: synthesis of triple-armed cyclens and their complexing property towards Ag(+).
• Authors of publication: Habata, Yoichi; Kizaki, Juli; Hosoi, Yasuhiro; Ikeda, Mari; Kuwahara, Shunsuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1170 - 1177
• a: 8.8291 ± 0.0004 Å
• b: 20.5803 ± 0.001 Å
• c: 17.8396 ± 0.0008 Å
• α: 90°
• β: 94.187 ± 0.001°
• γ: 90°
• Cell volume: 3232.9 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No