Information card for entry 1549542

Structure parameters

• Formula: C16 H34 N2 Ni O16
• Calculated formula: C16 H34 N2 Ni O16
• SMILES: [Ni](OC(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-])([OH2])([OH2])([OH2])([OH2])OC(=O)c1c(cc(C(=O)O[Ni]([OH2])([OH2])([OH2])[OH2])c(c1)C(=O)[O-])C(=O)[O-].[NH3+]C1CCC([NH3+])CC1.O.O.O.O.[NH3+]C1CCC([NH3+])CC1.O.O.O.O
• Title of publication: [(C6H10)(NH3)2][Ni(H2O)4C6H2(COO)4]·4H2O ‒ A Coordination Polymer with the Chain-like Polyanion {Ni(H2O)4[C6H2(COO)4]2−}n
• Authors of publication: Köferstein, Roberto; Robl, Christian
• Journal of publication: Zeitschrift für anorganische und allgemeine Chemie
• Year of publication: 2007
• Journal volume: 633
• Journal issue: 9
• Pages of publication: 1323
• a: 6.9123 ± 0.0006 Å
• b: 9.2484 ± 0.0005 Å
• c: 10.8243 ± 0.0007 Å
• α: 74.208 ± 0.006°
• β: 75.558 ± 0.007°
• γ: 68.251 ± 0.006°
• Cell volume: 609.85 ± 0.08 ų
• 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: 0.028
• Residual factor for significantly intense reflections: 0.026
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No