Information card for entry 7704633

Structure parameters

• Formula: C86.76 H126.51 Cl1.51 Lu N3 O6.5
• Calculated formula: C86.76 H126.52 Cl1.52 Lu N3 O6.5
• Title of publication: Structural and spectroscopic investigations of nine-coordinate redox active lanthanide complexes with a pincer O,N,O ligand.
• Authors of publication: Mouchel Dit Leguerrier, D.; Barré, R; Bryden, M.; Imbert, D.; Philouze, C.; Jarjayes, O.; Luneau, D.; Molloy, J. K.; Thomas, F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8238 - 8246
• a: 13.322 ± 0.003 Å
• b: 17.259 ± 0.004 Å
• c: 20.667 ± 0.004 Å
• α: 66.58 ± 0.03°
• β: 88.35 ± 0.03°
• γ: 87.91 ± 0.03°
• Cell volume: 4356.9 ± 1.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1652
• Residual factor for significantly intense reflections: 0.1424
• Weighted residual factors for significantly intense reflections: 0.3588
• Weighted residual factors for all reflections included in the refinement: 0.3917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.679
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No