Information card for entry 7027616

Structure parameters

• Formula: C33 H24 O7 P2 Ru3 Se2
• Calculated formula: C33 H24 O7 P2 Ru3 Se2
• SMILES: [Ru]123([Ru]45([Ru]([Se]14)([Se]25)([P](CC[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Chelating versus bridging behaviour and NMR fluxionality of dppf in the nido clusters [M3Se2(CO)7(dppf )] [M = Fe or Ru, dppf = Fe(η5-C5H4PPh2)2]. Crystal structure of the chelated ruthenium derivative †
• Authors of publication: Cauzzi, Daniele; Graiff, Claudia; Massera, Chiara; Predieri, Giovanni; Tiripicchio, Antonio; Acquotti, Domenico
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 3515
• a: 13.55 ± 0.005 Å
• b: 10.891 ± 0.004 Å
• c: 24.876 ± 0.006 Å
• α: 90°
• β: 102.31 ± 0.02°
• γ: 90°
• Cell volume: 3587 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2953
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.2664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No