Information card for entry 2228105

Structure parameters

• Chemical name: Bis(4-methoxybenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-bis(nicotinamide- κ<i>N</i>^1^)zinc(II)
• Formula: C28 H26 N4 O8 Zn
• Calculated formula: C28 H26 N4 O8 Zn
• SMILES: [Zn]1([O]=C(O1)c1ccc(OC)cc1)(OC(=O)c1ccc(OC)cc1)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=O)N
• Title of publication: Bis(4-methoxybenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-bis(nicotinamide-κ<i>N</i>^1^)zinc(II)
• Authors of publication: Hökelek, Tuncer; Saka, Güner; Tercan, Barış; Tenlik, Erdinç; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1135 - m1136
• a: 10.6828 ± 0.0002 Å
• b: 16.623 ± 0.0003 Å
• c: 23.8011 ± 0.0004 Å
• α: 77.05 ± 0.002°
• β: 85.654 ± 0.003°
• γ: 78.526 ± 0.002°
• Cell volume: 4034.63 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes