Information card for entry 7016517

Structure parameters

• Common name: (META-Mg)2
• Formula: C98 H122 Mg2 N8
• Calculated formula: C92 H116 Mg2 N8
• SMILES: [Mg]123[N](=C(C)C=C(N1c1cccc(N4[Mg]5([N](=C(C=C4C)C)c4c(cccc4C(C)C)C(C)C)N(c4cccc(N3C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c4)C(C)=CC(=[N]5c2c(cccc2C(C)C)C(C)C)C)c1)C)c1c(cccc1C(C)C)C(C)C.c1ccccc1.c1ccccc1
• Title of publication: Binuclear magnesium amidoborane complexes: characterization of a trinuclear thermal decomposition product.
• Authors of publication: Spielmann, Jan; Harder, Sjoerd
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8314 - 8319
• a: 19.0122 ± 0.0013 Å
• b: 22.8562 ± 0.0015 Å
• c: 20.8328 ± 0.0014 Å
• α: 90°
• β: 110.058 ± 0.002°
• γ: 90°
• Cell volume: 8503.7 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No