Information card for entry 7038253

Structure parameters

• Formula: C41 H46 B F15 N2 O P2
• Calculated formula: C41 H46 B F15 N2 O P2
• SMILES: c1(n(cc[n+]1P(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C(C)(C)C)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C1CCCO1
• Title of publication: Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.
• Authors of publication: Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4771 - 4779
• a: 12.321 ± 0.0005 Å
• b: 22.2071 ± 0.001 Å
• c: 16.3727 ± 0.0007 Å
• α: 90°
• β: 105.578 ± 0.001°
• γ: 90°
• Cell volume: 4315.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No