Information card for entry 4305029

Structure parameters

• Formula: C56 H72 Cl7 Er N12 Ni2 O21 P2 S2
• Calculated formula: C56 H71.96 Cl7 Er N12 Ni2 O20.98 P2 S2
• Title of publication: Trinuclear Heterobimetallic Ni2Ln complexes [L2Ni2Ln][ClO4] (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er; LH3= (S)P[N(Me)N=CH-C6H3-2-OH-3-OMe]3): From Simple Paramagnetic Complexes to Single-Molecule Magnet Behavior
• Authors of publication: Vadapalli Chandrasekhar; Balasubramanian Murugesa Pandian; Ramamoorthy Boomishankar; Alexander Steiner; Jagadese J. Vittal; Ahmad Houri; Rodolphe Clérac
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4918 - 4929
• a: 20.884 ± 0.0018 Å
• b: 11.7482 ± 0.0008 Å
• c: 17.7621 ± 0.0016 Å
• α: 90°
• β: 121.083 ± 0.002°
• γ: 90°
• Cell volume: 3732.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No