Information card for entry 4308033

Structure parameters

• Formula: C15 H21 Mo N4 O6 Re
• Calculated formula: C15 H21 Mo N4 O6 Re
• SMILES: [Mo]12(C#[O])(C#[O])([CH2]=[CH]1C2)(O[Re](=O)(=O)=O)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)C
• Title of publication: Pyrazole Complexes as Anion Receptors: Effects of Changing the Metal, the Pyrazole Substitution Pattern, and the Number of Pyrazole Ligands
• Authors of publication: Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; James A. Golen; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3407 - 3418
• a: 9.907 ± 0.01 Å
• b: 14.555 ± 0.014 Å
• c: 16.175 ± 0.016 Å
• α: 79.44 ± 0.02°
• β: 75.718 ± 0.016°
• γ: 72.794 ± 0.019°
• Cell volume: 2144 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2303
• Weighted residual factors for all reflections included in the refinement: 0.2672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No