Information card for entry 7005387

Structure parameters

• Formula: C46 H45 Cl N5 O10 P Ru
• Calculated formula: C46 H45 Cl N5 O10 P Ru
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)(Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1)[n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C.Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Ferromagnetic interactions in Ru(III)-nitronyl nitroxide radical complex: a potential 2p4d building block for molecular magnets.
• Authors of publication: Pointillart, Fabrice; Bernot, Kevin; Sorace, Lorenzo; Sessoli, Roberta; Gatteschi, Dante
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2689 - 2695
• a: 15.492 ± 0.004 Å
• b: 18.354 ± 0.005 Å
• c: 19.038 ± 0.006 Å
• α: 112.12 ± 0.004°
• β: 93.65 ± 0.005°
• γ: 100.473 ± 0.006°
• Cell volume: 4879 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2252
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No