Information card for entry 2007387

Structure parameters

• Chemical name: (Dicyclohexylammonium succinatotributylstannate)^.^1/2(dicyclohexylammonium succinate) hydrate
• Formula: C84 H166 N4 O14 Sn2
• Calculated formula: C84 H166 N4 O14 Sn2
• SMILES: [Sn](OC(=O)CCC(=O)O[Sn](CCCC)(CCCC)CCCC)(OC(=O)CCC(=O)[O-])(CCCC)(CCCC)CCCC.O.[NH2+](C1CCCCC1)C1CCCCC1.[NH2+](C1CCCCC1)C1CCCCC1.[O-]C(=O)CCC([O-])=O.O.[NH2+](C1CCCCC1)C1CCCCC1.[NH2+](C1CCCCC1)C1CCCCC1
• Title of publication: 2[(C~6~H~11~)~2~NH~2~]^+^.[Sn(O~2~CCH~2~CH~2~CO~2~)(C~4~H~9~)~3~]^{-^}.1/2(O~2~CCH~2~CH~2~CO~2~)^2{-^}.H~2~O, an Organostannate Consisting of Linear Polyanionic Tributyl(succinato)stannate Chains Hydrogen Bonded into Layers by a [Tetrakis(dicyclohexylammonium) Succinate Dihydrate] Dicationic Network
• Authors of publication: Ng, Seik Weng; Holeček, Jaroslav
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 750 - 752
• a: 13.068 ± 0.003 Å
• b: 13.715 ± 0.003 Å
• c: 14.312 ± 0.003 Å
• α: 84.48 ± 0.02°
• β: 65.25 ± 0.02°
• γ: 86.76 ± 0.02°
• Cell volume: 2318.3 ± 1 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.1292
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.1602
• Weighted residual factors for significantly intense reflections: 0.1255
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No