Information card for entry 1547980

Structure parameters

• Formula: C16 H20 N4 Ni O6 P2
• Calculated formula: C16 H20 N4 Ni O6 P2
• SMILES: [Ni]1234(OP(=O)(O)CC[N]1=Cc1[n]2cccc1)OP(=O)(O)CC[N]4=Cc1[n]3cccc1
• Title of publication: Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices
• Authors of publication: Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 13646
• a: 25.9071 ± 0.0008 Å
• b: 9.1614 ± 0.0003 Å
• c: 16.4713 ± 0.0004 Å
• α: 90°
• β: 100.956 ± 0.001°
• γ: 90°
• Cell volume: 3838.1 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No