Information card for entry 8100928

Structure parameters

• Formula: C17 H22 Fe I N O
• Calculated formula: C17 H22 Fe I N O
• SMILES: I[c]12[Fe]3456789([c]1([cH]3[cH]4[cH]25)C(=O)N(C(C)C)C(C)C)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Crystal structure of N,N-diisopropyl 2-iodoferrocenecarboxamide, (C~5~H~5~)Fe(C~5~H~3~I)(C~7~H~14~NO)
• Authors of publication: Peters, E.-M.; Peters, K.; Hinrichs, J.; Bringmann, G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 221 - 222
• a: 10.507 ± 0.002 Å
• b: 14.347 ± 0.003 Å
• c: 12.484 ± 0.002 Å
• α: 90°
• β: 111.45 ± 0.03°
• γ: 90°
• Cell volume: 1751.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No