Information card for entry 7134562

Structure parameters

• Common name: n/a
• Chemical name: n/a
• Formula: C48 H40 Ni2 P4 S5
• Calculated formula: C48 H40 Ni2 P4 S5
• Title of publication: Short-bite PSP-type ligands: coordination chemistry and ligand rearrangement reactions
• Authors of publication: Flecken, Franziska; Grell, Toni; Hanf, Schirin
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 51
• Pages of publication: 9262 - 9265
• a: 13.784 ± 0.0004 Å
• b: 16.4338 ± 0.0005 Å
• c: 21.9103 ± 0.0007 Å
• α: 93.043 ± 0.002°
• β: 96.228 ± 0.002°
• γ: 110.795 ± 0.002°
• Cell volume: 4590 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No