Information card for entry 1557846

Structure parameters

• Formula: C24 H72 N2 Na2 O4 Si12
• Calculated formula: C24 H72 N2 Na2 O4 Si12
• SMILES: [Si]1([Si]([N]23[Si]([Si]([O]4[Si]([Si]([O]1[Na]24[N]12[Si]([Si]([O]4[Si]([Si]([O]([Si]([Si]1(C)C)(C)C)[Na]324)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C
• Title of publication: Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures.
• Authors of publication: Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5787 - 5790
• a: 10.2536 ± 0.0005 Å
• b: 12.3598 ± 0.0005 Å
• c: 18.9999 ± 0.0008 Å
• α: 90°
• β: 92.488 ± 0.002°
• γ: 90°
• Cell volume: 2405.63 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No