Information card for entry 7037450

Structure parameters

• Formula: C40 H56 Cl Lu N4 P2
• Calculated formula: C40 H56 Cl Lu N4 P2
• SMILES: c1(ccccc1)P1(c2ccccc2)=[N](C(C)(C)C)[Lu]2(Cl)(N1C(C)(C)C)[N](C(C)(C)C)=P(c1ccccc1)(c1ccccc1)N2C(C)(C)C
• Title of publication: Simple entry into N-tert-butyl-iminophosphonamide rare-earth metal alkyl and chlorido complexes.
• Authors of publication: Rufanov, Konstantin A.; Pruß, Noa K; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1525 - 1538
• a: 11.255 ± 0.003 Å
• b: 12.9 ± 0.003 Å
• c: 15.145 ± 0.004 Å
• α: 104.05 ± 0.03°
• β: 103.39 ± 0.03°
• γ: 95.6 ± 0.03°
• Cell volume: 2047.4 ± 1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No