Information card for entry 4317737

Structure parameters

• Formula: C30 H29 N4 O P Re S4
• Calculated formula: C30 H29 N4 O P Re S4
• SMILES: [Re]123([S]=C(SC)N[N]2=C(c2c(O1)cccc2)C)(SC(=NN=3)SC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chelated Hydrazido(3-)rhenium(V) Complexes: On the Way to the Nitrido-M(V) Core (M = Tc, Re)
• Authors of publication: Franck Mévellec; Nicolas Lepareur; Alain Roucoux; Nicolas Noiret; Henri Patin; Giuliano Bandoli; Marina Porchia; Francesco Tisato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1591 - 1597
• a: 20.916 ± 0.003 Å
• b: 10.236 ± 0.004 Å
• c: 29.463 ± 0.007 Å
• α: 90°
• β: 92.33 ± 0.02°
• γ: 90°
• Cell volume: 6303 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No