Information card for entry 7024404

Structure parameters

• Formula: C39 H45 F6 N O2 P3 Ru S Sb Se
• Calculated formula: C39 H45 F6 N O2 P3 Ru S Sb Se
• SMILES: C12P(c3ccccc3)(c3ccccc3)=[Se][Ru]345672([c]2([cH]7[cH]6[c]5([cH]4[cH]32)C(C)C)C)[S]=P(N=P1(c1ccccc1)c1ccccc1)(OCC)OCC.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Access to the first (iminophosphoranyl)(selenophosphoranyl)methane ligands Ph2P(=Se)CH2P(=NR)Ph2: coordination of their methanide and methandiide anions to ruthenium.
• Authors of publication: Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 941 - 956
• a: 11.28 ± 0.0002 Å
• b: 11.7876 ± 0.0004 Å
• c: 16.7661 ± 0.0005 Å
• α: 82.136 ± 0.001°
• β: 80.647 ± 0.002°
• γ: 88.881 ± 0.002°
• Cell volume: 2178.96 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No