Information card for entry 7062742

Structure parameters

• Formula: C17 H27 Br Mn N5 O3
• Calculated formula: C17 H27 Br Mn N5 O3
• SMILES: [Br-].[Mn]12([NH](CC3=[N]1CCN3C(C)C)CC1=[N]2CCN1C(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, structures, and properties of manganese(i) complexes featuring tridentate amidine-toting protic amine ligands
• Authors of publication: Watari, Ryo; Kayaki, Yoshihito
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 18610 - 18617
• a: 10.835 ± 0.002 Å
• b: 18.242 ± 0.003 Å
• c: 10.958 ± 0.002 Å
• α: 90°
• β: 103.653 ± 0.003°
• γ: 90°
• Cell volume: 2104.7 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No