Information card for entry 4062537

Structure parameters

• Formula: C35 H46 Cr F3 N2 O3 S
• Calculated formula: C35 H46 Cr F3 N2 O3 S
• SMILES: [Cr]12345(OS(=O)(=O)C(F)(F)F)([N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)[cH]1[cH]2[cH]3[cH]4[cH]15
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 12.2769 ± 0.0007 Å
• b: 13.3936 ± 0.0006 Å
• c: 21.4324 ± 0.0011 Å
• α: 90°
• β: 94.863 ± 0.003°
• γ: 90°
• Cell volume: 3511.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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