Information card for entry 7002856

Structure parameters

• Formula: C70 H85 N4 Nd O2 P4
• Calculated formula: C62 H69 N4 Nd P4
• SMILES: [Nd]123([N](C(C)C)=P(C1=P(N2C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N](C(C)C)=P(C=P(N3C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: First neodymium(iii) alkyl-carbene complex based on bis(iminophosphoranyl) ligands
• Authors of publication: Buchard, Antoine; Auffrant, Audrey; Ricard, Louis; Le Goff, Xavier F.; Platel, Rachel H.; Williams, Charlotte K.; Le Floch, Pascal
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10219 - 10222
• a: 12.524 ± 0.001 Å
• b: 13.757 ± 0.001 Å
• c: 20.423 ± 0.001 Å
• α: 73.795 ± 0.001°
• β: 86.604 ± 0.001°
• γ: 72.637 ± 0.001°
• Cell volume: 3223.9 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0667
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No