Information card for entry 7034241

Structure parameters

• Formula: C26 H50 F12 N6 Ni2 O4 P2
• Calculated formula: C26 H50 F12 N6 Ni2 O4 P2
• SMILES: C1(CC([NH]2CCC[NH]3CCC[N]=1[Ni]123[O]=C2C(O1)=[O][Ni]13([N]4=C(CC([NH]1CCC[NH]3CCC4)(C)C)C)O2)(C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Blocking and bridging ligands direct the structure and magnetic properties of dimers of pentacoordinate nickel(ii).
• Authors of publication: López-Banet, Luisa; Santana, M. Dolores; García, Gabriel; Pérez, José; García, Luís; Lezama, Luis; da Silva, Iván
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6839 - 6847
• a: 8.1736 ± 0.0004 Å
• b: 15.1274 ± 0.0008 Å
• c: 14.9948 ± 0.0008 Å
• α: 90°
• β: 90.613 ± 0.001°
• γ: 90°
• Cell volume: 1853.93 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No