Information card for entry 4505942

Structure parameters

• Formula: C30 H36 N16 O14 Zn2
• Calculated formula: C30 H36 N16 O14 Zn2
• SMILES: c1[n]2[Zn]34([n]5ccc(cc5)C5n6ccc[n]6[Zn]6([n]7cccn57)([n]5ccc(C(n2cc1)n1ccc[n]31)cc5)(ON(=[O]6)=O)[O]=CN(C)C)(ON(=[O]4)=O)[O]=CN(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions
• Authors of publication: Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1952
• a: 11.8548 ± 0.0006 Å
• b: 22.3888 ± 0.001 Å
• c: 19.324 ± 0.0009 Å
• α: 90°
• β: 103.487 ± 0.003°
• γ: 90°
• Cell volume: 4987.4 ± 0.4 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No