Information card for entry 7002147

Structure parameters

• Formula: C18 H22 N2 O8 Zn2
• Calculated formula: C18 H22 N2 O8 Zn2
• SMILES: [Zn]1234([OH]Cc5[n]1cccc5)[O](Cc1[n]3cccc1)[Zn]([O]=C(O4)C)(OC(=[O]2)C)OC(=O)C
• Title of publication: Assembly of unusual Zn-cluster compounds based on pyridinealcohol platforms
• Authors of publication: Anselmo, Daniele; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Kleij, Arjan W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7368 - 7373
• a: 8.5747 ± 0.0005 Å
• b: 9.3319 ± 0.0006 Å
• c: 13.8853 ± 0.0007 Å
• α: 97.906 ± 0.003°
• β: 91.158 ± 0.003°
• γ: 111.763 ± 0.002°
• Cell volume: 1019.01 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No