Information card for entry 7007391

Structure parameters

• Formula: C27 H54 F12 N6 Ni2 O3 P2
• Calculated formula: C27 H54 F12 N6 Ni2 O3 P2
• SMILES: C1(CC([NH]2CCC[N]3([Ni]42([N]=1CCC3)[O]=C([O]14)O[Ni]123[N]4=C(CC([NH]3CCC[N]2(CCC4)C)(C)C)C)C)(C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure and magnetic properties of carbonate-bridged five-coordinate nickel(II) complexes controlled by solvent effect.
• Authors of publication: Lozano, A. Abel; Sáez, Magalí; Pérez, José; García, Luís; Lezama, Luís; Rojo, Teófilo; López, Gregorio; García, Gabriel; Santana, Ma Dolores
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 32
• Pages of publication: 3906 - 3911
• a: 15.977 ± 0.003 Å
• b: 16.6924 ± 0.0011 Å
• c: 15.8375 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4223.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No