Information card for entry 2004622

Structure parameters

• Chemical name: catena-{dinitratotriaquabis[meso-2,5-bis(trimethylammonio)adipate] dicadmium(II) dinitrate}]
• Formula: C24 H54 Cd2 N8 O23
• Calculated formula: C24 H54 Cd2 N8 O23
• SMILES: [Cd]1(ON(=O)=O)([OH2])(ON(=O)=O)[O]=C(O1)[C@@H]([N+](C)(C)C)CC[C@@H]([N+](C)(C)C)C1=O[Cd]2([OH2])([OH2])(O1)[O]=C(O2)[C@H]([N+](C)(C)C)CC[C@H]([N+](C)(C)C)C1=[O][Cd]2(O1)(ON(=O)=O)(ON(=O)=O)([OH2])OC(=[O]2)[C@@H]([N+](C)(C)C)CC[C@@H]([N+](C)(C)C)C1=[O][Cd]2([OH2])([OH2])(O1)[O]=C(O2)[C@H]([N+](C)C)CC[C@H]([N+](C)(C)C)C(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Polymeric Cadmium(II) Nitrate Adduct of a Flexible Double Betaine: [Cd~2~(<i>L</i>)~2~(NO~3~)~2~(H~2~O)~3~]~<i>n~</i>(NO~3~)~2<i>n~</i> [<i>L</i> = <i>meso</i>-2,5-Bis(trimethylammonio)adipate]
• Authors of publication: Wu, D.-D.; Mak, T. C. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 529 - 532
• a: 15.298 ± 0.004 Å
• b: 6.097 ± 0.001 Å
• c: 22.037 ± 0.004 Å
• α: 90°
• β: 106.72 ± 0.02°
• γ: 90°
• Cell volume: 1968.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.0751
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No