Information card for entry 4312266

Structure parameters

• Formula: C29.5 H33 Cl2 N2 O0.5 P2 Re
• Calculated formula: C30 Cl2 N2 O P2 Re
• Title of publication: The Crucial Role of the Diphosphine Heteroatom X in the Stereochemistry and Stabilization of the Substitution-Inert [M(N)(PXP)]2+ Metal Fragments (M = Tc, Re; PXP = Diphosphine Ligand)
• Authors of publication: Francesco Tisato; Fiorenzo Refosco; Marina Porchia; Cristina Bolzati; Giuliano Bandoli; Alessandro Dolmella; Adriano Duatti; Alessandra Boschi; Christian M. Jung; Hans-Juergen Pietzsch; Werner Kraus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8617 - 8625
• a: 13.981 ± 0.003 Å
• b: 12.127 ± 0.002 Å
• c: 18.355 ± 0.004 Å
• α: 90°
• β: 95.31 ± 0.03°
• γ: 90°
• Cell volume: 3098.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No