Information card for entry 4087702

Structure parameters

• Formula: C107 H115 Nb O4 P2
• Calculated formula: C107 H115 Nb O4 P2
• SMILES: [Nb](=Pc1ccccc1)(Oc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)(Oc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C)C(c1ccccc1)c1ccccc1)(C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C.O(CC)CC.O(CC)CC
• Title of publication: Anionic and Mononuclear Phosphinidene and Imide Complexes of Niobium
• Authors of publication: Searles, Keith; Carroll, Patrick J.; Mindiola, Daniel J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 4641
• a: 12.8866 ± 0.001 Å
• b: 23.3467 ± 0.0018 Å
• c: 31.025 ± 0.002 Å
• α: 90°
• β: 100.735 ± 0.004°
• γ: 90°
• Cell volume: 9170.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.2306
• Residual factor for significantly intense reflections: 0.2098
• Weighted residual factors for significantly intense reflections: 0.5266
• Weighted residual factors for all reflections included in the refinement: 0.535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No