Information card for entry 4308036

Structure parameters

• Formula: C18 H24 Mn N7 O6
• Calculated formula: C18 H24 Mn N7 O6
• SMILES: [Mn](C#[O])(C#[O])(C#[O])([n]1[nH]c(cc1C)C)([n]1[nH]c(cc1C)C)ON(=O)=O.n1[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: 11.865 ± 0.003 Å
• b: 14.837 ± 0.004 Å
• c: 14.004 ± 0.004 Å
• α: 90°
• β: 110.941 ± 0.005°
• γ: 90°
• Cell volume: 2302.4 ± 1.1 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: 0.0612
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No