Information card for entry 4308039

Structure parameters

• Formula: C18 H24 N6 O7 Re2
• Calculated formula: C18 H24 N6 O7 Re2
• SMILES: [Re]([n]1[nH]c(cc1C)C)([n]1[nH]c(cc1C)C)([n]1[nH]c(cc1C)C)(C#[O])(C#[O])C#[O].[Re](=O)(=O)(=O)[O-]
• 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: 13.926 ± 0.003 Å
• b: 15.559 ± 0.003 Å
• c: 23.677 ± 0.005 Å
• α: 90°
• β: 102.265 ± 0.004°
• γ: 90°
• Cell volume: 5013.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No