Information card for entry 4339918

Structure parameters

• Formula: C28 H36 Br2 Cl2 N3 O V
• Calculated formula: C28 H36 Br2 Cl2 N3 O V
• SMILES: Br[V]123(Br)Oc4c(C[N]2(Cc2[n]1cccc2)Cc1[n]3cccc1)cc(cc4C(C)(C)C)C(C)(C)C.ClCCl
• Title of publication: Synthesis and reactivity of metal complexes supported by the tetradentate monoanionic ligand bis(2-picolyl)(2-hydroxy-3,5-di-tert-butylbenzyl)amide (BPPA).
• Authors of publication: Chomitz, Wayne A.; Minasian, Stefan G.; Sutton, Andrew D.; Arnold, John
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7199 - 7209
• a: 9.1303 ± 0.0007 Å
• b: 27.55 ± 0.002 Å
• c: 12.3044 ± 0.0009 Å
• α: 90°
• β: 93.26 ± 0.001°
• γ: 90°
• Cell volume: 3090 ± 0.4 ų
• Cell temperature: 120.2 K
• Number of distinct elements: 7
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 2.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No