Information card for entry 2214213

Structure parameters

• Chemical name: Bis(dipyrido[3,2-a:2',3'-c]phenazine)sulfatoiron(II) monohydrate
• Formula: C36 H22 Fe N8 O5 S
• Calculated formula: C36 H22 Fe N8 O5 S
• Title of publication: Bis(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)sulfatoiron(II) monohydrate
• Authors of publication: Qing-Wei Wang; Xiao-Hong Zhao; Zhi-Xing Yu; Jian Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1861 - m1861
• a: 17.527 ± 0.002 Å
• b: 7.2674 ± 0.001 Å
• c: 23.203 ± 0.003 Å
• α: 90°
• β: 94.826 ± 0.002°
• γ: 90°
• Cell volume: 2945 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes