Information card for entry 7005386

Structure parameters

• Formula: C34 H29 N5 O2 P Ru
• Calculated formula: C34 H29 N5 O2 P Ru
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([N](=Cc4c(O2)cccc4)CC[N]1=Cc1ccccc1O3)N=N#N
• 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: 11.052 ± 0.003 Å
• b: 22.395 ± 0.007 Å
• c: 12.428 ± 0.004 Å
• α: 90°
• β: 102.388 ± 0.005°
• γ: 90°
• Cell volume: 3004.4 ± 1.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No