Information card for entry 7032729

Structure parameters

• Formula: C56 H66 K2 N8 O4
• Calculated formula: C56 H66 K2 N8 O4
• SMILES: [K]12([O]3CCCC3)([O]3CCCC3)N(c3ccccc3)[N]3=C(c4ccc(cc4)C)[N](=Nc4ccccc4)[K]3([O]3CCCC3)([O]3CCCC3)N(c3ccccc3)[N]1=C(c1ccc(cc1)C)[N]2(=Nc1ccccc1)
• 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: 9.4184 ± 0.0005 Å
• b: 16.0507 ± 0.001 Å
• c: 17.5178 ± 0.001 Å
• α: 90°
• β: 94.646 ± 0.002°
• γ: 90°
• Cell volume: 2639.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No