Information card for entry 7036985

Structure parameters

• Formula: C18 H26 Br2 Fe P2 Si
• Calculated formula: C18 H26 Br2 Fe P2 Si
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)P(C(C)(C)C)[Si](P2C(C)(C)C)(Br)Br
• Title of publication: [3]Ferrocenophanes with the bisphosphanotetryl bridge: inorganic rings on the way to tetrylenes.
• Authors of publication: Kargin, Denis; Kelemen, Zsolt; Krekić, Kristijan; Maurer, Martin; Bruhn, Clemens; Nyulászi, László; Pietschnig, Rudolf
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2180 - 2189
• a: 6.4147 ± 0.0003 Å
• b: 17.8803 ± 0.0006 Å
• c: 18.9078 ± 0.001 Å
• α: 90°
• β: 99.599 ± 0.004°
• γ: 90°
• Cell volume: 2138.3 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0439
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No