Information card for entry 7014036

Structure parameters

• Common name: Re(i)(2,4-Pyridinedicarboxylicacid)(benzylisocyanide)(CO)3
• Chemical name: Re(I)(2,4-Pyridinedicarboxylicacid)(benzylisocyanide)(CO)3
• Formula: C18 H11 N2 O7 Re
• Calculated formula: C18 H4 N2 O7 Re
• Title of publication: A new [2 + 1] mixed ligand concept based on [99(m)Tc(OH2)3(CO)3]+: a basic study.
• Authors of publication: Mundwiler, Stefan; Kündig, Monika; Ortner, Kirstin; Alberto, Roger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1320 - 1328
• a: 20.232 ± 0.011 Å
• b: 13.24 ± 0.005 Å
• c: 14.296 ± 0.006 Å
• α: 90°
• β: 102.13 ± 0.06°
• γ: 90°
• Cell volume: 3744 ± 3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No