Information card for entry 7127477

Structure parameters

• Formula: C65 H96 K La N2 O7 P2
• Calculated formula: C65 H96 K La N2 O7 P2
• SMILES: [La]1(Oc2c(cc(cc2C)C)C)(N(c2c(cc(cc2C)C)C1)c1ccc(cc1P(C(C)C)C(C)C)C)N(c1c(P(C(C)C)C(C)C)cc(cc1)C)c1c(C)cc(cc1C)C.[K]12345[O]6CC[O]1CC[O]3CC[O]5CC[O]2CC[O]4CC6
• Title of publication: A transient lanthanum phosphinidene complex.
• Authors of publication: Watt, Fabian A.; McCabe, Karl N.; Schoch, Roland; Maron, Laurent; Hohloch, Stephan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 98
• Pages of publication: 15410 - 15413
• a: 13.3178 ± 0.0009 Å
• b: 25.2864 ± 0.0017 Å
• c: 25.5213 ± 0.0017 Å
• α: 116.117 ± 0.002°
• β: 98.326 ± 0.002°
• γ: 99.911 ± 0.002°
• Cell volume: 7361.7 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No