Information card for entry 7056801

Structure parameters

• Formula: C50 H74 N2 O12 Sn4
• Calculated formula: C50 H74 N2 O12 Sn4
• SMILES: [Sn]1([O]([Sn]2([O]1[Sn]1([O]2[Sn]([O]1C)(OC(=O)[C@@H](/[NH+]=C(c1c([O-])cc(OC)cc1)\c1ccccc1)[C@@H](C)CC)(C)C)(C)C)(C)C)C)(OC(=O)[C@@H](/[NH+]=C(/c1c([O-])cc(OC)cc1)c1ccccc1)[C@@H](C)CC)(C)C
• Title of publication: Fluorescent biogenic Schiff base compounds of dimethyltin
• Authors of publication: Singh, Navjot; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Brendler, Erica; Wagler, Jörg; Kroke, Edwin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 1655
• a: 9.2377 ± 0.0003 Å
• b: 33.9062 ± 0.0009 Å
• c: 9.4263 ± 0.0003 Å
• α: 90°
• β: 97.036 ± 0.003°
• γ: 90°
• Cell volume: 2930.23 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No