Information card for entry 7021983

Structure parameters

• Formula: C122 H187 Cl Cu4 N54 O22 Si2
• Calculated formula: C58 H32 Cl Cu4 N32 O4 Si2
• Title of publication: Organosilicon linkers in metal organic frameworks: the tetrahedral tetrakis(4-tetrazolylphenyl)silane ligand.
• Authors of publication: Timokhin, Ivan; Baguña Torres, Júlia; White, Andrew J. P.; Lickiss, Paul D.; Pettinari, Claudio; Davies, Robert P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 38
• Pages of publication: 13806 - 13808
• a: 18.5153 ± 0.0003 Å
• b: 18.5153 ± 0.0003 Å
• c: 25.0576 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8590.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No