Information card for entry 7214582

Structure parameters

• Formula: C10 H16 Cl2 Fe N2 O2 S2 Se
• Calculated formula: C10 H16 Cl2 Fe N2 O2 S2 Se
• Title of publication: The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole
• Authors of publication: Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 7434
• a: 8.481 ± 0.0006 Å
• b: 13.4884 ± 0.0009 Å
• c: 14.3386 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1640.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No