Information card for entry 4061529

Structure parameters

• Formula: C22 H16 Cr Fe O3
• Calculated formula: C22 H16 Cr Fe O3
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[c]19C1=CC[c]23[Cr]49%10%11([c]12[cH]4[cH]9[cH]%10[cH]3%11)(C#[O])(C#[O])C#[O])[cH]1[cH]8[cH]7[cH]6[cH]51
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 11.005 ± 0.003 Å
• b: 7.315 ± 0.002 Å
• c: 11.76 ± 0.003 Å
• α: 90°
• β: 94.92 ± 0.03°
• γ: 90°
• Cell volume: 943.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No