Information card for entry 7037495

Structure parameters

• Formula: C44 H56 N6 Na2
• Calculated formula: C44 H56 N6 Na2
• SMILES: [Na]12([N](C)(C)CC[N]1(C)C)[N](c3cccc4ccccc34)(c3ccccc3)[Na]1([N]2(c2cccc3ccccc23)c2ccccc2)[N](C)(C)CC[N]1(C)C
• Title of publication: Synthetic and reactivity studies of hetero-tri-anionic sodium zincates.
• Authors of publication: Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6222 - 6233
• a: 9.635 ± 0.0006 Å
• b: 10.5208 ± 0.0006 Å
• c: 20.1793 ± 0.0007 Å
• α: 93.458 ± 0.004°
• β: 97.698 ± 0.004°
• γ: 99.085 ± 0.005°
• Cell volume: 1994.72 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No