Information card for entry 7031980

Structure parameters

• Formula: C40 H43 Cl2 F12 N2 O3 P Ru Sb2
• Calculated formula: C40 H43 Cl2 F12 N2 O3 P Ru Sb2
• SMILES: [Ru]123456([P]7(Oc8c(c9c(O7)ccc7ccccc97)c7ccccc7cc8)N(C)C)([OH][C@@H](c7[n]1cccc7)C)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[Sb](F)(F)(F)([F-])(F)F.[Sb](F)(F)(F)([F-])(F)F.C(Cl)Cl
• Title of publication: Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).
• Authors of publication: Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15546 - 15559
• a: 12.4981 ± 0.0013 Å
• b: 18.592 ± 0.0019 Å
• c: 20.181 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4689.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No