Information card for entry 7012928

Structure parameters

• Chemical name: (μ-o,o'-sulphato)(2,2':6'2"-terpyridine) zinc(II) dimer di-hydrate
• Formula: C30 H26 N6 O10 S2 Zn2
• Calculated formula: C15 H13 N3 O5 S Zn
• Title of publication: Study of binary and ternary metal complexes containing the sulfato ligand: molecular models for selected non-catalytic sites in sulfurylase
• Authors of publication: Tamasi, Gabriella; Cini, Renzo
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2928 - 2936
• a: 9.705 ± 0.0001 Å
• b: 9.767 ± 0.002 Å
• c: 10.322 ± 0.0001 Å
• α: 110.14 ± 0.03°
• β: 116.62 ± 0.001°
• γ: 98.91 ± 0.001°
• Cell volume: 763.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No