Information card for entry 1547981

Structure parameters

• Formula: C16 H20 Co N4 O6 P2
• Calculated formula: C16 H20 Co N4 O6 P2
• SMILES: [Co]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: 26.378 ± 0.0013 Å
• b: 9.059 ± 0.0004 Å
• c: 16.5517 ± 0.0007 Å
• α: 90°
• β: 102.286 ± 0.001°
• γ: 90°
• Cell volume: 3864.6 ± 0.3 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: 0.0951
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No