Information card for entry 7024405

Structure parameters

• Formula: C87 H77 F4 N7 P2 Ru Se
• Calculated formula: C87 H77 F4 N7 P2 Ru Se
• SMILES: C1(C(=Nc2c(cccc2C)C)[Ru](C#[N]c2c(cccc2C)C)(C#[N]c2c(cccc2C)C)(C#[N]c2c(cccc2C)C)(C#[N]c2c(cccc2C)C)[Se][P]=1(c1ccccc1)c1ccccc1)P(c1ccccc1)(c1ccccc1)=Nc1c(c(F)nc(c1F)F)F.c1ccccc1.c1ccccc1
• 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: 14.3993 ± 0.0005 Å
• b: 15.7608 ± 0.0004 Å
• c: 18.2825 ± 0.0004 Å
• α: 76.77 ± 0.002°
• β: 85.316 ± 0.002°
• γ: 73.684 ± 0.002°
• Cell volume: 3875.66 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No