Information card for entry 4334902

Structure parameters

• Formula: C125 H125 N73 Na2 O2 Sm6
• Calculated formula: C125 H125 N73 Na2 O2 Sm6
• SMILES: c1cccc[n]1[Sm]123456[N]7(=N#N)[Sm]89([O]%103[Sm]3%11%12([N](=N#N)[Sm]%13([O]4%12[Sm]([N]1=N#N)([N]2=N#N)(N=N#N)([n]1ccccc1)([n]1ccccc1)([N]%11=N#N)[N]%13=N#N)([N]6=N#N)(N=N#N)([n]1ccccc1)[n]1ccccc1)([N]1(=N#N)[Sm]%10([N]3=N#N)(N=N#[N][Na]1([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([N]5=N#N)([N]9=N#N)([n]1ccccc1)[n]1ccccc1)([N]8=N#N)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)N=N#[N][Na]7([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.c1ccncc1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1
• Title of publication: Lanthanide Clusters with Azide Capping Ligands
• Authors of publication: Brian F. Moore; Thomas J. Emge; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6021 - 6027
• a: 25.523 ± 0.003 Å
• b: 18.941 ± 0.0018 Å
• c: 33.039 ± 0.003 Å
• α: 90°
• β: 112.106 ± 0.002°
• γ: 90°
• Cell volume: 14798 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No