Information card for entry 4080255

Structure parameters

• Formula: C36 H52 Ga N2 Sm
• Calculated formula: C36 H52 Ga N2 Sm
• SMILES: c12ccc(c[n]1[Sm]13456789([c]%10([c]1([c]3([c]4([c]5%10C)C)C)C)C)([n]1c([Ga]2(CC)CC)ccc(c1)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C
• Title of publication: Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals
• Authors of publication: Zeckert, Kornelia
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1387
• a: 11.6336 ± 0.0005 Å
• b: 19.3358 ± 0.0007 Å
• c: 15.0814 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3392.5 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No