Information card for entry 7006545

Structure parameters

• Formula: C31 H33 B2 Cl2 P5
• Calculated formula: C31 H33 B2 Cl2 P5
• SMILES: ClCCl.[P]1([P](P(P(P1c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)[BH3])(c1ccccc1)[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: 19.6208 ± 0.0003 Å
• b: 10.1953 ± 0.0001 Å
• c: 33.8163 ± 0.0005 Å
• α: 90°
• β: 96.7138 ± 0.0006°
• γ: 90°
• Cell volume: 6718.22 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0432
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No