Information card for entry 7701096

Structure parameters

• Formula: C117 H88 B2 F30 N6 O3 Pd
• Calculated formula: C117 H88 B2 F30 N6 O3 Pd
• Title of publication: Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.
• Authors of publication: Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14138 - 14155
• a: 18.6043 ± 0.0018 Å
• b: 26.89 ± 0.003 Å
• c: 21.779 ± 0.002 Å
• α: 90°
• β: 101.862 ± 0.002°
• γ: 90°
• Cell volume: 10662.7 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.93 K
• Number of distinct elements: 7
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No