Information card for entry 4322275

Structure parameters

• Formula: C28 H28 N P2 S2 Tc
• Calculated formula: C28 H28 N P2 S2 Tc
• SMILES: [Tc]12(SCC[P]1(c1ccccc1)c1ccccc1)(SCC[P]2(c1ccccc1)c1ccccc1)#N
• Title of publication: Synthesis of a Novel Class of trigonal Bipyramidal Nitrido Tc(V) Complexes with Phosphino-Thiol Ligands. Crystal Structure of [99gTc(N)(L1)2] [L1= 2-(Diphenylphosphino)ethanethiolato] and [99gTc(N)(L5)2] [L5= 2-(Ditolylphosphino)propanethiolato]
• Authors of publication: Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Erica Malagò; Giuliano Bandoli; Francesco Tisato; Fiorenzo Refosco; Roberto Pasqualini; Adriano Duatti
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4473 - 4479
• a: 24.837 ± 0.016 Å
• b: 7.327 ± 0.006 Å
• c: 31.521 ± 0.02 Å
• α: 90°
• β: 111.06 ± 0.1°
• γ: 90°
• Cell volume: 5353 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections: 0.1532
• Weighted residual factors for significantly intense reflections: 0.1404
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No