Information card for entry 7701588

Structure parameters

• Formula: C46 H42 Br Cl2 N5 Pd
• Calculated formula: C46 H42 Br Cl2 N5 Pd
• Title of publication: Classifying donor strengths of dipyrrinato/aza-dipyrrinato ligands.
• Authors of publication: Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7546 - 7550
• a: 10.2398 ± 0.0011 Å
• b: 14.2743 ± 0.0015 Å
• c: 14.7046 ± 0.0016 Å
• α: 71.955 ± 0.001°
• β: 88.839 ± 0.001°
• γ: 79.423 ± 0.001°
• Cell volume: 2007.3 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No