Information card for entry 4300372

Structure parameters

• Formula: C19 H25 Fe N3 O2 S
• Calculated formula: C19 H25 Fe N3 O2 S
• SMILES: S1[Fe]23(OC=O)[n]4ccccc4CC[N]2(CCc2[n]3cccc2)CC1(C)C
• Authors of publication: Karambelkar, Vivek; Xiao, Chuanyun; Zhang, Yingkai; Narducci Sarjeant, Amy A.; Goldberg, David P.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 15.2554 ± 0.0013 Å
• b: 8.8516 ± 0.0008 Å
• c: 14.98 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2022.8 ± 0.3 ų
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No