Information card for entry 7025878

Structure parameters

• Formula: C26.5 H37 F6 N4 Ni O2.5 P
• Calculated formula: C26.5 H36 F6 N4 Ni O2.5 P
• Title of publication: Mono- and bidentate imidates of five-coordinate nickel(II) with macrocyclic ligands: spectroscopic and photophysical properties.
• Authors of publication: García-Bueno, Rocío; Santana, M. Dolores; Sánchez, Gregorio; García, Joaquín; García, Gabriel; Pérez, José; García, Luis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5728 - 5736
• a: 7.9767 ± 0.0004 Å
• b: 14.7743 ± 0.0007 Å
• c: 24.1568 ± 0.0011 Å
• α: 90°
• β: 94.562 ± 0.001°
• γ: 90°
• Cell volume: 2837.9 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No