Information card for entry 7029971

Structure parameters

• Formula: C49 H62 Al N2 O3 P
• Calculated formula: C49 H62 Al N2 O3 P
• Title of publication: Synthesis and characterization of compounds with the Al-O-X (X = Si, P, C) structural motif.
• Authors of publication: Hao, Pengfei; Yang, Zhi; Ma, Xiaoli; Wang, Xiujuan; Liu, Zhihong; Roesky, Herbert W.; Sun, Kening; Li, Jiarong; Zhong, Mingdong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 43
• Pages of publication: 13520 - 13524
• a: 12.875 ± 0.002 Å
• b: 14.052 ± 0.003 Å
• c: 14.388 ± 0.003 Å
• α: 86.432 ± 0.009°
• β: 70.108 ± 0.007°
• γ: 68.574 ± 0.006°
• Cell volume: 2272.9 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No