Information card for entry 4317563

Structure parameters

• Formula: C24 H38 B2 F8 Fe N2
• Calculated formula: C24 H38 B2 F8 Fe N2
• SMILES: [cH]12[c]3([cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]7[cH]8[cH]1[cH]62)CC[NH+]1CCCCC1)CC[NH+]1CCCCC1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Synthesis and Structural Studies of 1,1'-Bis-Amino-Functionalized Ferrocenes, Ferrocene Salts, and Ferrocenium Salts
• Authors of publication: Sam Bradley; Kenneth D. Camm; Xiaoming Liu; Patrick C. McGowan; Raheela Mumtaz; Karrie A. Oughton; Thomas J. Podesta; Mark Thornton-Pett
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 715 - 726
• a: 13.4954 ± 0.0002 Å
• b: 6.1644 ± 0.0001 Å
• c: 31.6684 ± 0.0006 Å
• α: 90°
• β: 94.478 ± 0.0006°
• γ: 90°
• Cell volume: 2626.49 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.124
• 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