Information card for entry 4340387

Structure parameters

• Formula: C40 H74 B2 Cl4 N14 Ti2
• Calculated formula: C40 H74 B2 Cl4 N14 Ti2
• SMILES: [B]1(C(C)(C)C)(c2ccc([B]3(C(C)(C)C)n4ccc[n]4[Ti]([n]4cccn34)(N(C)C)(N(C)C)N(C)C)cc2)n2ccc[n]2[Ti]([n]2cccn12)(N(C)C)(N(C)C)N(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.
• Authors of publication: Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 9489 - 9496
• a: 8.9956 ± 0.0015 Å
• b: 17.041 ± 0.002 Å
• c: 19.519 ± 0.004 Å
• α: 90°
• β: 93.376 ± 0.015°
• γ: 90°
• Cell volume: 2987 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2526
• Residual factor for significantly intense reflections: 0.1795
• Weighted residual factors for significantly intense reflections: 0.4494
• Weighted residual factors for all reflections included in the refinement: 0.483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.458
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No