Information card for entry 7053489

Structure parameters

• Formula: C34 H62 Li4 N4 O7 Si
• Calculated formula: C34 H62 Li4 N4 O7 Si
• SMILES: [Si]1([O]23[Li]4([O](C5=CCCCN15)C)[O](C1=CCCC[N]51[Li]1[N]6(CCCC=C6[O](C)[Li]25[O]2CCCC2)[Li]3([O](C2=CCCC[N]412)C)[O]1CCCC1)C)(C)C
• Title of publication: Homo- and heteroanionic alkali metal aza-enolate aggregates derived from o-methylvalerolactim ether
• Authors of publication: Andrews, Philip C.; Bull, Steven D.; Koutsaplis, Magdaline
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1678
• a: 10.2332 ± 0.0002 Å
• b: 11.2688 ± 0.0002 Å
• c: 17.574 ± 0.0004 Å
• α: 88.139 ± 0.001°
• β: 89.748 ± 0.001°
• γ: 77.463 ± 0.001°
• Cell volume: 1977.19 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No