Information card for entry 7016516

Structure parameters

• Common name: META-(Mg3(iPrN-BH-N(iPr)-BH3)2
• Formula: C55 H95 B4 Mg3 N8
• Calculated formula: C52 H88 B4 Mg3 N8
• SMILES: [Mg]12[N](=C(C)C=C(N1c1cccc(N3[Mg]([N](=C(C=C3C)C)c3c(cccc3C(C)C)C(C)C)[N]3(B[N]([Mg]43[N]2(B[N]4([BH3])C(C)C)C(C)C)([BH3])C(C)C)C(C)C)c1)C)c1c(cccc1C(C)C)C(C)C
• 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: 10.9417 ± 0.0012 Å
• b: 16.6877 ± 0.0018 Å
• c: 17.8037 ± 0.0019 Å
• α: 93.865 ± 0.007°
• β: 106.518 ± 0.007°
• γ: 103.888 ± 0.007°
• Cell volume: 2993.2 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.1318
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No