Information card for entry 7006300

Structure parameters

• Formula: C21 H18 N2 Ni S7
• Calculated formula: C21 H18 N2 Ni S7
• Title of publication: Influence of the R-substituents on the properties of [Ni(R2pipdt)(dmit)] complexes and crystal structure where R = CH2C6H5.
• Authors of publication: Geary, Elaine A. M.; Yellowlees, Lesley J.; Parsons, Simon; Pilia, Luca; Serpe, Angela; Mercuri, M. Laura; Deplano, Paola; Clark, Stewart J.; Robertson, Neil
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 5453 - 5459
• a: 19.1586 ± 0.0006 Å
• b: 19.5819 ± 0.0005 Å
• c: 6.1048 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2290.29 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No