Information card for entry 7101046

Structure parameters

• Common name: 2,3,7,8,12,13,17,18-octamethyl-5,10,15,20-tetrakis (3,5-di- tert-butylphenyl)porphyrinato-κ^4^N)iron(III) perchlorate dichloromethane solvate
• Formula: C85 H112 Cl3 Fe N4 O5
• Calculated formula: C85 H58 Cl3 Fe N4 O5
• Title of publication: Novel spin transition between S=5/2 and S=3/2 in highly saddled iron(III) porphyrin complexes at extremely low temperature
• Authors of publication: Yoshiki Ohgo; Yuya Chiba; Daisuke Hashizume; Mikio Nakamura; Tomoji Ozeki; Hidehiro Uekusa
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 15.16 ± 0.004 Å
• b: 15.846 ± 0.004 Å
• c: 18.698 ± 0.005 Å
• α: 68.533 ± 0.007°
• β: 79.192 ± 0.009°
• γ: 83.227 ± 0.009°
• Cell volume: 4100 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: Yes
• Has Fobs: No