Information card for entry 7045549

Structure parameters

• Formula: C38 H34 Cr2 N6 Nb2 O26
• Calculated formula: C38 H34 Cr2 N6 Nb2 O26
• SMILES: c1cccc2c3cccc4[n]3[Cr]3([n]12)([n]1c4cccc1)(O[Nb]12(O[Cr]45([n]6ccccc6c6cccc([n]46)c4[n]5cccc4)(O[Nb]45(O3)(OC(=O)C(=O)O4)OC(=O)C(=O)O5)[OH2])(OC(=O)C(=O)O1)OC(=O)C(=O)O2)[OH2].O.O.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: 11.0343 ± 0.0009 Å
• b: 17.4862 ± 0.0014 Å
• c: 11.9713 ± 0.0007 Å
• α: 90°
• β: 90.766 ± 0.003°
• γ: 90°
• Cell volume: 2309.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No