Information card for entry 7701272

Structure parameters

• Formula: C25 H38 Ni P2 S3
• Calculated formula: C25 H38 Ni P2 S3
• Title of publication: Nickel(II) PE1CE2P pincer complexes (E = O, S) for electrocatalytic proton reduction
• Authors of publication: Kaur-Ghumaan, Sandeep; Hasche, Patrick; Spannenberg, Anke; Beweries, Torsten
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 30.1685 ± 0.0009 Å
• b: 9.1638 ± 0.0003 Å
• c: 20.49 ± 0.0006 Å
• α: 90°
• β: 105.734 ± 0.0011°
• γ: 90°
• Cell volume: 5452.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No