Information card for entry 4308044

Structure parameters

• Formula: C24 H18 Cl N6 O7 Re
• Calculated formula: C24 H18 Cl N6 O7 Re
• SMILES: [Re]([n]1[nH]c2ccccc2c1)([n]1[nH]c2ccccc2c1)([n]1[nH]c2ccccc2c1)(C#[O])(C#[O])C#[O].Cl(=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: 10.7796 ± 0.0008 Å
• b: 12.6297 ± 0.001 Å
• c: 19.6399 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2673.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No