Information card for entry 7006014

Structure parameters

• Formula: C44 H46 B N O4 P2
• Calculated formula: C44 H46 B N O4 P2
• SMILES: P(c1ccccc1)(c1ccccc1)Cc1cc2O[B]3(Oc4cc(CP(c5ccccc5)c5ccccc5)ccc4O3)Oc2cc1.[NH+](CC)(CC)CC
• Title of publication: Boron templated catechol phosphines as bidentate ligands in silver complexes.
• Authors of publication: Chikkali, Samir H.; Gudat, Dietrich; Lissner, Falk; Nieger, Martin; Schleid, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3906 - 3913
• a: 8.1733 ± 0.0002 Å
• b: 43.277 ± 0.001 Å
• c: 11.0401 ± 0.0003 Å
• α: 90°
• β: 94.894 ± 0.002°
• γ: 90°
• Cell volume: 3890.82 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No