Information card for entry 7134560

Structure parameters

• Common name: n/a
• Chemical name: n/a
• Formula: C74 H64 Cl4 Ni3 P6 S4
• Calculated formula: C74 H64 Cl4 Ni3 P6 S4
• 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: 12.1053 ± 0.0005 Å
• b: 13.2856 ± 0.0004 Å
• c: 22.4508 ± 0.0009 Å
• α: 90°
• β: 96.619 ± 0.003°
• γ: 90°
• Cell volume: 3586.6 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No