Information card for entry 7003033

Structure parameters

• Formula: C66 H70 Cl N12 Nb Ni2 O24
• Calculated formula: C66 H70 Cl N12 Nb Ni2 O24
• Title of publication: Supramolecular motifs and solvatomorphism within the compounds [M(bpy)3]2[NbO(C2O4)3]Cl·nH2O (M = Fe2+, Co2+, Ni2+, Cu2+ and Zn2+; n = 11, 12). Syntheses, structures and magnetic properties
• Authors of publication: Jurić, Marijana; Perić, Berislav; Brničević, Nevenka; Planinić, Pavica; Pajić, Damir; Zadro, Krešo; Giester, Gerald; Kaitner, Branko
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 6
• Pages of publication: 742 - 754
• a: 23.875 ± 0.003 Å
• b: 13.265 ± 0.001 Å
• c: 23.115 ± 0.002 Å
• α: 90°
• β: 101.69 ± 0.01°
• γ: 90°
• Cell volume: 7168.7 ± 1.2 ų
• Cell temperature: 200 ± 3 K
• Ambient diffraction temperature: 200 ± 3 K
• Number of distinct elements: 7
• 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: 0.1674
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No