Information card for entry 4323008

Structure parameters

• Formula: C77 H100 La2 N12 O2
• Calculated formula: C77 H100 La2 N12 O2
• SMILES: [La]1234([N](=C5C=CC=CC=C5N1CCC[N]2=C1C=CC=CC=C1N3C(C)C)C(C)C)([N](=C1C=CC=CC=C1N4CCCN1[La]234([N](=C5C=CC=CC=C15)C(C)C)([N](=C1C=CC=CC=C1N2CCC[N]3=C1C=CC=CC=C1N4C(C)C)C(C)C)[O]1CCCC1)C(C)C)[O]1CCCC1
• 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: 19.86 ± 0.002 Å
• b: 17.691 ± 0.003 Å
• c: 21.333 ± 0.003 Å
• α: 90 ± 0.01°
• β: 102.211 ± 0.008°
• γ: 90 ± 0.012°
• Cell volume: 7325.6 ± 1.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections: 0.1592
• Weighted residual factors for significantly intense reflections: 0.1102
• Goodness-of-fit parameter for all reflections: 1.146
• Goodness-of-fit parameter for significantly intense reflections: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No