Information card for entry 7062507

Structure parameters

• Formula: C25 H29 N5 O3 Sn
• Calculated formula: C25 H29 N5 O3 Sn
• SMILES: [Sn]123(OC(N)=N[N]2=Cc2c(O1)cccc2)(CC)(CC)[n]1cccc2c1c1[n]3cccc1cc2.OC
• 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: 9.5849 ± 0.0002 Å
• b: 11.1754 ± 0.0002 Å
• c: 12.8127 ± 0.0003 Å
• α: 106.398 ± 0.001°
• β: 91.301 ± 0.001°
• γ: 112.718 ± 0.001°
• Cell volume: 1200.93 ± 0.05 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: 0.0159
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No