Information card for entry 4339917

Structure parameters

• Formula: C30 H34 Cl5.5 I3 N3 O U
• Calculated formula: C30 H34 Cl5.39 I3 N3 O U
• 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: 9.206 ± 0.003 Å
• b: 19.809 ± 0.006 Å
• c: 11.727 ± 0.004 Å
• α: 90°
• β: 99.259 ± 0.003°
• γ: 90°
• Cell volume: 2110.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No