Information card for entry 4328282

Structure parameters

• Formula: C22 H41 Cl Ni O Sn2
• Calculated formula: C22 H41 Cl Ni O Sn2
• SMILES: [Ni]1234(C#[O])([Sn]([Sn](Cl)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Synthesis and Structure of Distanna and Tristanna Ansa Half-Sandwich Complexes of Ruthenium and Nickel
• Authors of publication: Holger Braunschweig; Rainer Dörfler; Kai Hammond; Thomas Kramer; Jan Mies; Krzysztof Radacki; Marius Schäfer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1225 - 1227
• a: 17.1866 ± 0.0014 Å
• b: 10.9803 ± 0.0009 Å
• c: 28.805 ± 0.002 Å
• α: 90°
• β: 94.894 ± 0.001°
• γ: 90°
• Cell volume: 5416.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No