Information card for entry 4323007

Structure parameters

• Formula: C62 H92 Cl2 La2 N8 O4
• Calculated formula: C62 H92 Cl2 La2 N8 O4
• SMILES: [La]1234([Cl][La]567([Cl]1)([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=CC=CC=C1N4C(C)C)C(C)C)[O]1CCCC1.C1CCCO1.C1CCCO1
• Title of publication: Bridged Aminotroponiminate Complexes of Lanthanum
• Authors of publication: Peter W. Roesky
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4507 - 4511
• a: 12.848 ± 0.003 Å
• b: 32.902 ± 0.007 Å
• c: 16.215 ± 0.003 Å
• α: 90°
• β: 110.38 ± 0.03°
• γ: 90°
• Cell volume: 6425 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1284
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections: 0.2475
• Weighted residual factors for significantly intense reflections: 0.2249
• Goodness-of-fit parameter for all reflections: 0.972
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No