Information card for entry 7041670

Structure parameters

• Formula: C30 H62 Mg2 N6
• Calculated formula: C30 H62 Mg2 N6
• SMILES: [Mg]123(N4CC[N]1(C(C)C)CC[N]2(C(C)C)CC4)[CH2](C=C)[Mg]12(N4CC[N]1(C(C)C)CC[N]2(C(C)C)CC4)[CH2]3C=C
• Title of publication: Molecular magnesium hydrides supported by an anionic triazacyclononane-type ligand.
• Authors of publication: Schnitzler, S.; Cui, P.; Spaniol, T. P.; Okuda, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1761 - 1765
• a: 8.0801 ± 0.0011 Å
• b: 9.6293 ± 0.0013 Å
• c: 11.6216 ± 0.0015 Å
• α: 106.203 ± 0.0019°
• β: 91.124 ± 0.002°
• γ: 110.394 ± 0.0019°
• Cell volume: 807 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No