Information card for entry 7031979

Structure parameters

• Formula: C38 H39 F12 N2 O3 P Rh Sb2
• Calculated formula: C38 H39 F12 N2 O3 P Rh Sb2
• SMILES: [Rh]12345([P]6(N(C)C)Oc7ccc8ccccc8c7c7c(O6)ccc6c7cccc6)([n]6ccccc6C[OH]1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Sb](F)(F)([F-])(F)(F)F.[Sb](F)(F)(F)(F)(F)[F-]
• 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: 32.966 ± 0.002 Å
• b: 12.6937 ± 0.0008 Å
• c: 23.6444 ± 0.0015 Å
• α: 90 ± 0.005°
• β: 124.259 ± 0.001°
• γ: 90 ± 0.005°
• Cell volume: 8177.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No