Information card for entry 7002465

Structure parameters

• Formula: C54 H36 F6 N12 Ni2 O6 P
• Calculated formula: C54 H36 F6 N12 Ni2 O6 P
• SMILES: c1cccc2C(=O)N3c4cc(N5C(=O)c6cccc[n]6[Ni]6785[n]5ccccc5C(=O)N7c5cc(N7[Ni]93([n]12)([n]1ccccc1C7=O)[n]1ccccc1C(=O)N9c1cc(N8C(=O)c2cccc[n]62)ccc1)ccc5)ccc4.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Enhanced ferromagnetic interaction in metallacyclic complexes incorporating m-phenylenediamidato bridges.
• Authors of publication: Palacios, María A.; Rodríguez-Diéguez, Antonio; Sironi, Angelo; Herrera, Juan Manuel; Mota, Antonio J.; Cano, Joan; Colacio, Enrique
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8538 - 8547
• a: 13.79 ± 0.002 Å
• b: 13.79 ± 0.002 Å
• c: 21.995 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3622.3 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No