Information card for entry 4061751

Structure parameters

• Formula: C19 H21 Fe2 O4 P
• Calculated formula: C19 H21 Fe2 O4 P
• SMILES: [Fe]123456([Fe]789%10(P1(=O)C1CCCCC1)(C#[O])(C2=O)[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 8.084 ± 0.007 Å
• b: 12.317 ± 0.011 Å
• c: 18.743 ± 0.016 Å
• α: 90°
• β: 100.775 ± 0.014°
• γ: 90°
• Cell volume: 1833 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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