Information card for entry 7062505

Structure parameters

• Formula: C24 H24 N2 O2 Sn
• Calculated formula: C24 H24 N2 O2 Sn
• SMILES: [Sn]123(Oc4ccccc4C=[N]2c2ccccc2[N]3=Cc2ccccc2O1)(CC)CC
• Title of publication: Derivatives of penta-, hexa-, and hepta-coordinated tin with Schiff bases and 1,10-phenanthroline: structure, redox and optoelectronic properties
• Authors of publication: Krylova, Irina V.; Labutskaya, Liliya D.; Markova, Mariya O.; Balycheva, Victoriya A.; Shangin, Pavel G.; Akyeva, Anna Ya.; Golovina, Victoriya V.; Minyaev, Mikhail E.; Lalov, Andrey V.; Pechennikov, Valery M.; Novikov, Vasiliy T.; Egorov, Mikhail P.; Syroeshkin, Mikhail A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 25
• Pages of publication: 11890 - 11902
• a: 10.45872 ± 0.00009 Å
• b: 10.81132 ± 0.00008 Å
• c: 18.91626 ± 0.00017 Å
• α: 78.4367 ± 0.0007°
• β: 76.9185 ± 0.0007°
• γ: 88.6387 ± 0.0006°
• Cell volume: 2040.59 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0303
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No