Information card for entry 4066493

Structure parameters

• Formula: C84 H148 Na4 O14 P2
• Calculated formula: C84 H148 Na4 O14 P2
• SMILES: c12c(c(C(C)(C)C)cc(C(C)(C)C)c1)[O]1[Na]34([O](c5c(cc(cc5C(C)(C)C)C(C)(C)C)[P]24C(C)(C)C)[Na]21[O](C)CC[O]2C)([O](C)CC[O]3C)[O](C)CC[O](C)[Na]123([O]4c5c(cc(cc5C(C)(C)C)C(C)(C)C)[P]3(C(C)(C)C)c3c(c(C(C)(C)C)cc(C(C)(C)C)c3)[O]1[Na]14[O](C)CC[O]1C)[O](C)CC[O]2C
• Title of publication: Alkali Metal Complexes of atert-Butylphosphine-Bridged Biphenolate Ligand
• Authors of publication: Hsu, Yu-Lin; Liang, Lan-Chang
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6201
• a: 16.5254 ± 0.0018 Å
• b: 14.0526 ± 0.0016 Å
• c: 20.125 ± 0.002 Å
• α: 90°
• β: 96.75 ± 0.007°
• γ: 90°
• Cell volume: 4641.1 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1175
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No