Information card for entry 7717144

Structure parameters

• Formula: C58.06 H77.94 Mg2 N6 O2.97 S4
• Calculated formula: C58.06 H77.94 Mg2 N6 O2.97 S4
• Title of publication: Synthesis and reactivity of a heteroleptic magnesium hydride on a dearomatized picolyl-based NNN-chelator.
• Authors of publication: Mandal, Chhotan; Sarkar, Subham; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 42
• Pages of publication: 17343 - 17350
• a: 8.9855 ± 0.0002 Å
• b: 13.0705 ± 0.0002 Å
• c: 13.5358 ± 0.0002 Å
• α: 111.931 ± 0.002°
• β: 91.736 ± 0.001°
• γ: 100.183 ± 0.002°
• Cell volume: 1443.34 ± 0.05 ų
• Cell temperature: 99.98 ± 0.18 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0696
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No