Information card for entry 4311945

Structure parameters

• Formula: C36 H88 Cl2 Cu9 N16 O32
• Calculated formula: C36 H68 Cl2 Cu9 N16 O34
• SMILES: C[N]1(C)[Cu]2(N=C=O)[O]3[Cu]45([OH2])([OH2])[O]([Cu]6(N=C=O)[N](C)(C)CC(C1)[O]26)[Cu]1([N](C)(C)CC2[O]1[Cu](N=C=O)([N](C2)(C)C)[O]4[Cu]1([N](CC2C[N](C)(C)[Cu]([O]21)([O]5[Cu]1([N](C)(C)CC2[O]1[Cu]3([N](C2)(C)C)N=C=O)N=C=O)N=C=O)(C)C)N=C=O)N=C=O.Cl(=O)(=O)(=O)[O-].O.O.O.O.Cl(=O)(=O)(=O)[O-].O.O.O.O
• Title of publication: Syntheses and Magneto-Structural Study of Several Polynuclear Copper(II) Complexes Derived from 1,3-Bis(dimethylamino)-2-propanolato
• Authors of publication: M. Salah El Fallah; Albert Escuer; Ramon Vicente; Fatima Badyine; Xavier Solans; Merce Font-Bardia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7218 - 7226
• a: 24.104 ± 0.001 Å
• b: 13.542 ± 0.001 Å
• c: 24.355 ± 0.001 Å
• α: 90°
• β: 109.98°
• γ: 90°
• Cell volume: 7471.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No