Information card for entry 7707071

Structure parameters

• Formula: C50 H51 Br Mn N7 O3 P2
• Calculated formula: C50 H51 Br Mn N7 O3 P2
• SMILES: c12c(n(CC)n[n+]2C)[Mn](c2c1n(C)n[n+]2CC)(C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C.O.[Br-]
• Title of publication: Manganese complexes with chelating and bridging di-triazolylidene ligands: synthesis and reactivity.
• Authors of publication: Friães, Sofia; Realista, Sara; Gomes, Clara S. B.; Martinho, Paulo N.; Veiros, Luis F.; Albrecht, Martin; Royo, Beatriz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 17
• Pages of publication: 5911 - 5920
• a: 11.7228 ± 0.0019 Å
• b: 13.508 ± 0.002 Å
• c: 14.793 ± 0.002 Å
• α: 90.963 ± 0.006°
• β: 98.57 ± 0.005°
• γ: 101.111 ± 0.005°
• Cell volume: 2270.4 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1929
• Residual factor for significantly intense reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.3019
• Weighted residual factors for all reflections included in the refinement: 0.342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No