Information card for entry 4304756

Structure parameters

• Common name: [ReNL1)2(PEt2PhP)2]
• Chemical name: Bis(diethylphenylphosphine)bis(5,6-diphenyl-1,2,4-triazine-3-thionato)- nitridorhenium(V)
• Formula: C50 H50 N7 P2 Re S2
• Calculated formula: C50 H50 N7 P2 Re S2
• SMILES: [Re]1(#N)(Sc2[n]1nc(c(n2)c1ccccc1)c1ccccc1)(Sc1nnc(c(n1)c1ccccc1)c1ccccc1)([P](c1ccccc1)(CC)CC)[P](c1ccccc1)(CC)CC
• Title of publication: Rhenium Complexes with Triazine Derivatives Formed from Semicarbazones and Thiosemicarbazones
• Authors of publication: Elena López-Torres; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2890 - 2896
• a: 12.387 ± 0.002 Å
• b: 12.387 ± 0.002 Å
• c: 30.963 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4750.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No