Information card for entry 7051304

Structure parameters

• Formula: C34 H38 Fe2 N4 O8
• Calculated formula: C34 H38 Fe2 N4 O8
• SMILES: [cH]12[cH]3[Fe]4567891([cH]1[c]7([cH]6[cH]5[cH]41)C(=O)O)[cH]3[cH]8[c]29C(=O)[O-].C(CC1=[NH+]CCCN1)C1=[NH+]CCCN1.[cH]12[cH]3[cH]4[cH]5[c]1(C(=O)[O-])[Fe]16782345[cH]2[c]8([cH]7[cH]6[cH]12)C(=O)O
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• a: 11.91 ± 0.01 Å
• b: 10.623 ± 0.005 Å
• c: 13.516 ± 0.009 Å
• α: 90°
• β: 107.96 ± 0.08°
• γ: 90°
• Cell volume: 1626.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No