Information card for entry 7201257

Structure parameters

• Formula: C38 H18 Fe N14 S5
• Calculated formula: C38 H18 Fe N14 S5
• Title of publication: Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline
• Authors of publication: Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2065
• a: 12.174 ± 0.002 Å
• b: 12.264 ± 0.002 Å
• c: 12.35 ± 0.002 Å
• α: 73.543 ± 0.004°
• β: 88.616 ± 0.007°
• γ: 83.507 ± 0.006°
• Cell volume: 1756.9 ± 0.5 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No