Information card for entry 7029972

Structure parameters

• Formula: C56.5 H65 Al N2 O4 P2
• Calculated formula: C56.5 H65 Al N2 O4 P2
• 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: 12.3271 ± 0.0019 Å
• b: 42.636 ± 0.006 Å
• c: 10.5983 ± 0.0016 Å
• α: 90°
• β: 115.176 ± 0.002°
• γ: 90°
• Cell volume: 5041.1 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.164
• 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