Information card for entry 2010954

Structure parameters

• Formula: C38 H30 Fe N8 O3 S2
• Calculated formula: C38 H24 Fe N8 O3 S2
• Title of publication: Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')iron(II) dithiocyanate trihydrate
• Authors of publication: Hoshina, Gakuse; Ohba, Shigeru; Tsuchiya, Naoko; Isobe, Tetsuhiko; Senna, Mamoru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e191 - e192
• a: 12.083 ± 0.003 Å
• b: 14.234 ± 0.004 Å
• c: 12.05 ± 0.002 Å
• α: 93.19 ± 0.02°
• β: 109.53 ± 0.01°
• γ: 111.55 ± 0.02°
• Cell volume: 1778.7 ± 0.8 ų
• Cell temperature: 295 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No