Information card for entry 1564405

Structure parameters

• Formula: C39 H34 Co2 N4 O14
• Calculated formula: C39 H34 Co2 N4 O14
• SMILES: [Co]1234[O]5[Co]67(OC(=O)c8c(C[N]6(Cc6[n]7cccc6)CC5C[N]3(Cc3c(C(=O)O1)cccc3)Cc1[n]4cccc1)cccc8)[O]=C(O2)c1c(C(=O)O)cccc1.O.O.O.O.O
• Title of publication: Aromatic dicarboxylate incorporated new di- and tetranuclear cobalt(II) complexes: Synthetic and structural aspects, and evaluation of properties and catalytic activity
• Authors of publication: Majumder, Avishek; Dutta, Nityananda; Haldar, Shobhraj; Das, Arpan; Carrella, Luca; Bera, Manindranath
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 510
• Pages of publication: 119752
• a: 12.381 ± 0.003 Å
• b: 12.315 ± 0.003 Å
• c: 26.259 ± 0.007 Å
• α: 90°
• β: 91.951 ± 0.006°
• γ: 90°
• Cell volume: 4001.4 ± 1.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125.01 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: 0.0702
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No