Information card for entry 7027567

Structure parameters

• Chemical name: (5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11]- tetraazacyclotetradecinato)methyltin(IV).dichloroform solvate
• Formula: C25 H20 Cl6 I N4 Sn
• Calculated formula: C25 H20 Cl6 I N4 Sn
• SMILES: [I-].C1(=[N]2c3ccccc3N3[Sn]42(N(C(=C1)C)c1ccccc1[N]4=C(C=C3C)C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 10.4459 ± 0.0003 Å
• b: 10.647 ± 0.0002 Å
• c: 28.3609 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3154.23 ± 0.13 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No