Information card for entry 2018776

Structure parameters

• Chemical name: <i>catena</i>-poly[[bis[nitratosilver(I)]- bis{μ~3~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] monohydrate]
• Formula: C20 H34 Ag2 N6 O13 S2
• Calculated formula: C20 H34 Ag2 N6 O13 S2
• SMILES: [Ag]12(ON(=[O]1)=O)([S]1[C@@H](CCCCC(=O)O)[C@H]3NC(=O)N[C@H]3C1)[S]1([C@@H](CCCCC(=O)O)[C@H]3NC(=O)N[C@H]3C1)[Ag]1(ON(=O)=O)[S]3([C@@H](CCCCC(=O)O)[C@H]4NC(=[O]2)N[C@H]4C3)[Ag]2(ON(=[O]2)=O)[S]2([Ag]ON(=O)=O)[C@@H](CCCCC(=O)O)[C@H]3NC(=[O]1)N[C@H]3C2.O.O
• Title of publication: Chiral one- and two-dimensional silver(I)‒biotin coordination polymers
• Authors of publication: Altaf, Muhammad; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 127 - 137
• a: 21.8568 ± 0.0012 Å
• b: 8.0321 ± 0.0004 Å
• c: 16.8886 ± 0.0009 Å
• α: 90°
• β: 99.337 ± 0.004°
• γ: 90°
• Cell volume: 2925.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes