Information card for entry 7045548

Structure parameters

• Formula: C56 H36 Cr2 N8 Nb2 O22
• Calculated formula: C56 H36 Cr2 N8 Nb2 O22
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cr]124(O[Nb]34(O[Cr]56([n]7cccc8ccc9ccc[n]5c9c78)([n]5cccc7ccc8ccc[n]6c8c57)O[Nb]56(O2)(OC(=O)C(=O)O5)OC(=O)C(=O)O6)(OC(=O)C(=O)O3)OC(=O)C(=O)O4)[n]2cccc3ccc4ccc[n]1c4c23.O.O
• Title of publication: From a square core to square opening: structural diversity and magnetic properties of the oxo-bridged [Cr^IIINb^V] complexes.
• Authors of publication: Jurić, Marijana; Androš Dubraja, Lidija; Popović, Jasminka; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 4183 - 4190
• a: 14.77 ± 0.005 Å
• b: 14.77 ± 0.005 Å
• c: 12.583 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2745 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No