Information card for entry 7000540

Structure parameters

• Formula: C32 H72 N8 O4 P8
• Calculated formula: C32 H72 N8 O4 P8
• SMILES: P12N(P(N1C(C)(C)C)OP1N(P(N1C(C)(C)C)OP1N(P(N1C(C)(C)C)OP1N(P(N1C(C)(C)C)O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Joining the crown family; the tetrameric, O-bridged macrocycle [{P(μ-NtBu)}2(μ-O)]4
• Authors of publication: Gonzalez Calera, Silvia; Eisler, Dana J.; Goodman, Jonathan M.; McPartlin, Mary; Singh, Sanjay; Wright, Dominic S.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1293
• a: 13.3176 ± 0.0001 Å
• b: 17.0622 ± 0.0002 Å
• c: 21.4828 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4881.48 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No