Information card for entry 7102099

Structure parameters

• Formula: C64 H74 N2 Sm
• Calculated formula: C50 H58 N2 Sm
• SMILES: [Sm]123456789([N](c%10c(cc(cc%10C)C)C)=C%10C(=[N]1c1c(C)cc(C)cc1C)c1c%11c%10cccc%11ccc1)([c]1([c]2(C)[c]8(C)[c]9([c]31C)C)C)[c]1([c]6(C)[c]7([c]4(C)[c]51C)C)C
• Title of publication: Synthesis and structures of 1,2-bis(imino)acenaphthene (BIAN) lanthanide complexes that involve the transfer of zero, one, or two electrons.
• Authors of publication: Vasudevan, Kalyan; Cowley, Alan H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3464 - 3466
• a: 12.319 ± 0.005 Å
• b: 14.294 ± 0.005 Å
• c: 16.91 ± 0.005 Å
• α: 70.589 ± 0.005°
• β: 82.726 ± 0.005°
• γ: 69.084 ± 0.005°
• Cell volume: 2623.2 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No