Information card for entry 4334329

Structure parameters

• Formula: C51 H42 Br N Si Zn
• Calculated formula: C51 H42 Br N Si Zn
• SMILES: Br[Zn]N([Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
• Title of publication: Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems
• Authors of publication: Jamie Hicks; Cameron Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3900 - 3907
• a: 10.6299 ± 0.0004 Å
• b: 10.7824 ± 0.0005 Å
• c: 19.9387 ± 0.0009 Å
• α: 84.799 ± 0.004°
• β: 89.581 ± 0.003°
• γ: 63.163 ± 0.004°
• Cell volume: 2029.3 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No