Information card for entry 4063145

Structure parameters

• Formula: C35 H40 Fe2 O3 S2
• Calculated formula: C35 H40 Fe2 O3 S2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[c]49C(c1ccccc1)([c]12[Fe]349%10%11%12%13([c]1([cH]3[cH]4[cH]29)S(C(C)(C)C)=O)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)O)S(C(C)(C)C)=O)[cH]1[cH]5[cH]6[cH]7[cH]81
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 12.0961 ± 0.0001 Å
• b: 16.2988 ± 0.0001 Å
• c: 16.5371 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3260.32 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No