Information card for entry 4329318

Structure parameters

• Formula: C19 H24 Mn N7 O4
• Calculated formula: C19 H24 Mn N7 O4
• SMILES: [Mn]1([n]2n(/C(=N/C#N)N1)c(cc2C)C)([n]1[nH]c(cc1C)C)(C#[O])(C#[O])C#[O].O1CCCC1
• Title of publication: Coordination versus Coupling of Dicyanamide in Molybdenum and Manganese Pyrazole Complexes
• Authors of publication: Marta Arroyo; Patricia Gómez-Iglesias; Jose Miguel Martín-Alvarez; Celedonio M. Alvarez; Daniel Miguel; Fernando Villafañe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6070 - 6080
• a: 8.733 ± 0.007 Å
• b: 10.655 ± 0.008 Å
• c: 13.642 ± 0.011 Å
• α: 98.909 ± 0.013°
• β: 96.89 ± 0.013°
• γ: 107.068 ± 0.013°
• Cell volume: 1180.3 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No