Information card for entry 4081828

Structure parameters

• Formula: C34 H58 Br2 Ni2
• Calculated formula: C34 H58 Br2 Ni2
• Title of publication: Paramagnetic 18-Valence-Electron Alkylcyclopentadienylnickel(II) Bromide Dimers
• Authors of publication: Schär, Marion; Saurenz, Dirk; Zimmer, Frank; Schädlich, Ina; Wolmershäuser, Gotthelf; Demeshko, Serhiy; Meyer, Franc; Sitzmann, Helmut; Heigl, Oliver M.; Köhler, Frank H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6298
• a: 10.4462 ± 0.0009 Å
• b: 12.4572 ± 0.0009 Å
• c: 14.0885 ± 0.0011 Å
• α: 87.823 ± 0.009°
• β: 89.489 ± 0.01°
• γ: 87.799 ± 0.009°
• Cell volume: 1830.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No