Information card for entry 4308043

Structure parameters

• Formula: C36 H42 N6 O10 Re2
• Calculated formula: C36 H42 N6 O10 Re2
• SMILES: [Re]([n]1[nH]c2ccccc2c1)([n]1[nH]c2ccccc2c1)([n]1[nH]c2ccccc2c1)(C#[O])(C#[O])C#[O].[Re](=O)(=O)(=O)[O-].O1CCCC1.O1CCCC1.O1CCCC1
• 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: 11.79 ± 0.007 Å
• b: 20.368 ± 0.012 Å
• c: 17.485 ± 0.01 Å
• α: 90°
• β: 93.392 ± 0.012°
• γ: 90°
• Cell volume: 4191 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No