Information card for entry 7006544

Structure parameters

• Formula: C30 H31 B2 P5
• Calculated formula: C30 H31 B2 P5
• SMILES: c1(ccccc1)[P]1([P](c2ccccc2)(P(c2ccccc2)P(c2ccccc2)P1c1ccccc1)[BH3])[BH3]
• Title of publication: Reactivity of cyclooligophosphanes: synthesis and structural characterisation of cyclo-1,4-(BH3)2(P4Ph4CH2) and cyclo-1,2-(BH3)2(P5Ph5).
• Authors of publication: Wolf, Robert; Finger, Markus; Limburg, Carolin; Willis, Anthony C.; Wild, S. Bruce; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 6
• Pages of publication: 831 - 837
• a: 10.775 ± 0.005 Å
• b: 22.123 ± 0.005 Å
• c: 13.275 ± 0.005 Å
• α: 90°
• β: 108.435 ± 0.005°
• γ: 90°
• Cell volume: 3002 ± 1.9 ų
• Cell temperature: 207 K
• Ambient diffraction temperature: 486 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No