Information card for entry 4311184

Structure parameters

• Formula: C54 H48 As2 N3 O7 Re
• Calculated formula: C54 H25 As2 N3 O5.5 Re
• Title of publication: [TcI(CN)3(CO)3]2- and [ReI(CN)3(CO)3]2-: Case Studies for the Binding Properties of CN- and CO
• Authors of publication: Philipp Kurz; Bernhard Spingler; Thomas Fox; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3789 - 3791
• a: 9.5656 ± 0.0004 Å
• b: 13.1567 ± 0.0005 Å
• c: 41.3637 ± 0.0019 Å
• α: 90°
• β: 90.991 ± 0.005°
• γ: 90°
• Cell volume: 5204.9 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No