Information card for entry 4312765

Structure parameters

• Formula: C42 H70 Cl2 N12 O10 Pb2
• Calculated formula: C42 H70 Cl2 N12 O10 Pb2
• SMILES: C1C[N]23CC[NH]4CC[N]51CC[NH]1Cc6c([O]7[Pb]134589)c(cc(c6)C)C[NH]1CC[N]34CC[N]56CC[NH](CC4)[Pb]13574[O]9c1c(cc(cc1C[NH]4CC6)C)C[NH]8CC2.Cl(=O)(=O)(=O)[O-].CC#N.Cl(=O)(=O)(=O)[O-].CC#N
• Title of publication: Coordination Chemistry of a New Cofacial Binucleating Macropolycycle Derived from 1,4,7-Triazacyclononane
• Authors of publication: Lorenzo Tei; Massimiliano Arca; M. Carla Aragoni; Andrea Bencini; Alexander J. Blake; Claudia Caltagirone; Francesco A. Devillanova; Patrizia Fornasari; Alessandra Garau; Francesco Isaia; Vito Lippolis; Martin Schröder; Simon J. Teat; Barbara Valtancoli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8690 - 8701
• a: 10.0027 ± 0.0007 Å
• b: 10.7873 ± 0.0008 Å
• c: 12.5946 ± 0.0009 Å
• α: 102.819 ± 0.002°
• β: 106.811 ± 0.002°
• γ: 97.918 ± 0.002°
• Cell volume: 1238.44 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No