Information card for entry 4340389

Structure parameters

• Formula: C42 H66 B2 Li2 N8 O4
• Calculated formula: C42 H66 B2 Li2 N8 O4
• SMILES: [B]1(C(C)(C)C)(n2[n]([Li]([n]3n1ccc3)([O]1CCCC1)[O]1CCCC1)ccc2)c1ccc([B]2(C(C)(C)C)n3[n]([Li]([n]4n2ccc4)([O]2CCCC2)[O]2CCCC2)ccc3)cc1
• 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: 19.617 ± 0.002 Å
• b: 16.5862 ± 0.0016 Å
• c: 27.867 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9067.1 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1971
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No