Information card for entry 4322429

Structure parameters

• Formula: C62 H92 Cl2 N8 Nd2 O4
• Calculated formula: C62 H92 Cl2 N8 Nd2 O4
• SMILES: [Nd]1234([Cl][Nd]567([Cl]1)([O]1CCCC1)[N](=C1C=CC=CC=C1N5CCC[N]6=C1C=CC=CC=C1N7C(C)C)C(C)C)([O]1CCCC1)[N](=C1C=CC=CC=C1N2CCC[N]3=C1C(N4C(C)C)=CC=CC=C1)C(C)C.O1CCCC1.O1CCCC1
• Title of publication: Bridged Aminotroponiminate Complexes of the Lanthanides
• Authors of publication: Peter W. Roesky; Markus R. Bürgstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5629 - 5632
• a: 12.714 ± 0.003 Å
• b: 32.835 ± 0.007 Å
• c: 16.193 ± 0.003 Å
• α: 90°
• β: 110.62 ± 0.03°
• γ: 90°
• Cell volume: 6327 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2459
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections: 0.2757
• Weighted residual factors for significantly intense reflections: 0.1987
• Goodness-of-fit parameter for all reflections: 0.861
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No