Information card for entry 7702514

Structure parameters

• Formula: C72 H128 Ba6 N16 O12 Si4
• Calculated formula: C72 H128 Ba6 N16 O12 Si4
• Title of publication: [(thf )6Ba6(dmpz)8{(OSiMe2)2O}2] (dmpz = 3,5-dimethylpyrazolate): a molecule with six barium cations in a plane capped by two siloxane dianions and framed by eight dmpz anions †
• Authors of publication: Steiner, Alexander; Lawson, Gavin T.; Walfort, Bernhard; Leusser, Dirk; Stalke, Dietmar
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 219
• a: 21.416 ± 0.003 Å
• b: 13.944 ± 0.002 Å
• c: 32.317 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9651 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1098
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No