Information card for entry 4085434

Structure parameters

• Formula: C29 H52 Fe N3 Na Zn
• Calculated formula: C29 H52 Fe N3 Na Zn
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[c]7([cH]82)[Zn](C(C)(C)C)[N]1(C(C)(C)CCCC1(C)C)[Na]1[N](C)(C)CC[N]1(C)C
• Title of publication: Structurally Defined Zincated and Aluminated Complexes of Ferrocene Made by Alkali-Metal Synergistic Syntheses
• Authors of publication: Clegg, William; Crosbie, Elaine; Dale-Black, Sophie H.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2580
• a: 10.535 ± 0.006 Å
• b: 11.698 ± 0.011 Å
• c: 26.32 ± 0.03 Å
• α: 90.11 ± 0.13°
• β: 91.55 ± 0.07°
• γ: 103.46 ± 0.11°
• Cell volume: 3153 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1669
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No