Information card for entry 7010423

Structure parameters

• Formula: C46 H74 K2 N4 O8 Si2
• Calculated formula: C46 H74 K2 N4 O8 Si2
• SMILES: [K]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[n]12ccccc1[N]4([Si](C)(C)C)[K]12347([O]2CC[O]1CC[O]7CC[O]3CC2)[n]15ccccc1[N]46[Si](C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Cation-induced structural variations in the alkali metal derivatives of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of complexes for all five metals Li‒Cs with 12-crown-4 †
• Authors of publication: Liddle, Stephen T.; Clegg, William
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 402
• a: 10.5289 ± 0.0007 Å
• b: 11.6308 ± 0.0008 Å
• c: 11.9792 ± 0.0008 Å
• α: 71.065 ± 0.002°
• β: 88.749 ± 0.002°
• γ: 72.796 ± 0.002°
• Cell volume: 1321.03 ± 0.16 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No