Information card for entry 8104957

Structure parameters

• Formula: C132 H98 I12 N34 O20 Zn6
• Calculated formula: C132 H98 I12 N34 O20 Zn6
• Title of publication: Redetermination of the crystal structure of the crystal sponge the poly[tetrakis(μ3-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine)-dodecaiodidohexazinc(II) nitrobenzene solvate], C72H48I12N24Zn6⋅10(C6H5NO2)
• Authors of publication: Eigner, Václav
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 45 - 49
• a: 34.978 ± 0.00015 Å
• b: 15.02541 ± 0.00006 Å
• c: 30.13247 ± 0.00012 Å
• α: 90°
• β: 101.903 ± 0.0004°
• γ: 90°
• Cell volume: 15495.9 ± 0.11 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.1329
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0768
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No