Information card for entry 4349351

Structure parameters

• Formula: C105.38 H85.9 In4 N7.13 O35.13 S8
• Calculated formula: C105.384 H85.896 In4 N7.128 O35.128 S8
• Title of publication: Anion-Cation Mediated Structural Rearrangement of an In-derived Three-Dimensional Interpenetrated Metal-Organic Framework.
• Authors of publication: Bellas, Michael K.; Mihaly, Joseph J.; Zeller, Matthias; Genna, Douglas T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 950 - 955
• a: 13.9174 ± 0.001 Å
• b: 15.0132 ± 0.0011 Å
• c: 16.1501 ± 0.0012 Å
• α: 90°
• β: 115.496 ± 0.002°
• γ: 90°
• Cell volume: 3045.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1526
• 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: Yes
• Has Fobs: No