Information card for entry 7027566

Structure parameters

• Chemical name: (u-methylene)bis(5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]- tetraazacyclotetradecinatotin(IV))diiodide.lithium iodide.dihydrate. dichloroform solvate
• Formula: C47 H54 Cl6 I3 Li N8 O3 Sn2
• Calculated formula: C47 H48 Cl6 I3 Li N8 O3 Sn2
• SMILES: [Sn]123([N]4=C(C)C=C(N1c1ccccc1[N]2=C(C)C=C(N3c1ccccc41)C)C)C[Sn]123N4C(=CC(=[N]1c1ccccc1N2C(=CC(=[N]3c1ccccc41)C)C)C)C.[I-].[I-].[I-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.O.O.[Li+].O
• Title of publication: Tin complexes of tetramethyltetraazadibenzo[14]annulene: organometallic derivatives
• Authors of publication: Belcher, Warwick J.; Brothers, Penelope J.; Meredith, Anthony P.; Rickard, Clifton E. F.; Ware, David C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2833
• a: 14.451 ± 0.0001 Å
• b: 16.7506 ± 0.0002 Å
• c: 24.8794 ± 0.0004 Å
• α: 90°
• β: 104.176 ± 0.001°
• γ: 90°
• Cell volume: 5838.99 ± 0.13 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No