Information card for entry 7100645

Structure parameters

• Formula: C39 H30 Fe2 N12 O S2
• Calculated formula: C39 H26 Fe2 N12 O S2
• Title of publication: A Steep Single [HS-HS] to [LS-LS] Spin Transition in a 4,4'-Bipyridine Linked One-Dimensional Coordination Polymer Constructed from a Pyrazolato Bridged Fe(II) Dimer
• Authors of publication: Satoshi Kawata; Keiichi Adachi; Akira Fuyuhiro; Shinya Hayami; Sumio Kaizaki; Motomi Katada; Yonezo Maeda; Ko Yoneda
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 9.529 ± 0.003 Å
• b: 10.386 ± 0.004 Å
• c: 10.68 ± 0.004 Å
• α: 78.5 ± 0.06°
• β: 73.16 ± 0.05°
• γ: 70.91 ± 0.05°
• Cell volume: 949.6 ± 0.6 ų
• Cell temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No