Information card for entry 7002145

Structure parameters

• Formula: C38 H45 N5 O16 Zn4
• Calculated formula: C38 H45 N5 O16 Zn4
• SMILES: [Zn]123([n]4c(cccc4C[O]2[Zn]2456[O]17[Zn]18([n]9c(cccc9CO1)C7)([O]1[Zn]([n]7c(cccc7CO)C1)([O]=C(O6)C)(OC(=O)C)[O]48Cc1[n]2c(ccc1)CO5)[O]=C(O3)C)CO)OC(=O)C.C(#N)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: 17.1997 ± 0.0005 Å
• b: 15.3812 ± 0.0005 Å
• c: 16.676 ± 0.0004 Å
• α: 90°
• β: 100.403 ± 0.001°
• γ: 90°
• Cell volume: 4339.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No