Information card for entry 4308037

Structure parameters

• Formula: C18 H24 Mn N6 O7 Re
• Calculated formula: C18 H24 Mn N6 O7 Re
• SMILES: [Re](=O)(=O)(=O)[O-].[Mn](C#[O])(C#[O])(C#[O])([n]1[nH]c(cc1C)C)([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: 13.887 ± 0.006 Å
• b: 15.524 ± 0.006 Å
• c: 23.611 ± 0.01 Å
• α: 90°
• β: 102.224 ± 0.008°
• γ: 90°
• Cell volume: 4975 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No