Information card for entry 7706214

Structure parameters

• Formula: C42 H92 B4 Ca O4 P2 Si4
• Calculated formula: C42 H92 B4 Ca O4 P2 Si4
• Title of publication: Phosphido-bis(borane) complexes of the alkaline earth metals.
• Authors of publication: Izod, Keith; Watson, James M.; Harrington, Ross W.; Clegg, William
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 1019 - 1024
• a: 15.9886 ± 0.0005 Å
• b: 11.9737 ± 0.0004 Å
• c: 29.3298 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5615 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No