Information card for entry 7032731

Structure parameters

• Formula: C102 H114 N24 Na6
• Calculated formula: C102 H114 N24 Na6
• SMILES: [Na]12[N](c3ccccc3)N=C(C(C)(C)C)[N]1=[N](c1ccccc1)[Na]1[N](c3ccccc3)N=C(C(C)(C)C)[N]1=[N](c1ccccc1)[Na]1[N](c3ccccc3)N=C(C(C)(C)C)[N]1=[N](c1ccccc1)[Na]1[N](c3ccccc3)N=C(C(C)(C)C)[N]1=[N](c1ccccc1)[Na]1[N](c3ccccc3)N=C(C(C)(C)C)[N]1=[N](c1ccccc1)[Na]1[N](c3ccccc3)N=C(C(C)(C)C)[N]1=[N]2c1ccccc1
• Title of publication: Alkali metal salts of formazanate ligands: diverse coordination modes as a result of the nitrogen-rich [NNCNN] ligand backbone.
• Authors of publication: Travieso-Puente, Raquel; Chang, Mu-Chieh; Otten, Edwin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 48
• Pages of publication: 18035 - 18041
• a: 16.7609 ± 0.0008 Å
• b: 16.7609 ± 0.0008 Å
• c: 30.0579 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7312.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No