Information card for entry 7037830

Structure parameters

• Formula: C62 H68 D8 N4 O Sn2
• Calculated formula: C62 H68 D8 N4 O Sn2
• SMILES: [Sn]12[N]([Sn]3[N]2(CCC2c4ccccc4c4ccccc24)CCN3c2c(cccc2C(C)C)C(C)C)(CCC2c3ccccc3c3ccccc23)CCN1c1c(cccc1C(C)C)C(C)C.O1C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
• Title of publication: Synthesis and reactivity of fluorenyl-tethered N-heterocyclic stannylenes.
• Authors of publication: Roselló-Merino, Marta; Mansell, Stephen M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6282 - 6293
• a: 10.7998 ± 0.0004 Å
• b: 17.2527 ± 0.0007 Å
• c: 29.5233 ± 0.0012 Å
• α: 90°
• β: 98.884 ± 0.002°
• γ: 90°
• Cell volume: 5435 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1021
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No