Information card for entry 7711007

Structure parameters

• Chemical name: [(1,2-Bis(diphenylphosphino)ethane)(1-benzyl-1H-1,2,3-triazole-4,5-dithiolato)nickel(II)]
• Formula: C36 H33 Cl2 N3 Ni P2 S2
• Calculated formula: C35 H31 N3 Ni P2 S2
• Title of publication: Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates
• Authors of publication: Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.9178 ± 0.0004 Å
• b: 16.95 ± 0.0007 Å
• c: 20.6572 ± 0.0009 Å
• α: 90°
• β: 96.336 ± 0.002°
• γ: 90°
• Cell volume: 3451.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No