Information card for entry 4116739

Structure parameters

• Formula: C40 H80 B2 N12 Na2 Nb2
• Calculated formula: C40 H80 B2 N12 Na2 Nb2
• SMILES: [BH](CC)(CC)CC.[Na+].[Nb]1234[N]5CCCN6CCCN(C=56)[Nb]4([N]4CCCN5CCCN1C=45)([N]1CCCN4CCCN3C=14)N1CCCN3CCC[N]2=[C]13.[BH](CC)(CC)CC.[Na+]
• Title of publication: Triply Bonded Nb24+ Tetragonal Lantern Compounds: Some Accompanied by Novel B-H...Na+ Interactions
• Authors of publication: F. Albert Cotton; John H. Matonic; Carlos A. Murillo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 6047 - 6052
• a: 9.228 ± 0.002 Å
• b: 10.963 ± 0.002 Å
• c: 23.401 ± 0.005 Å
• α: 90°
• β: 95.18 ± 0.03°
• γ: 90°
• Cell volume: 2357.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.0828
• Goodness-of-fit parameter for all reflections: 1.154
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No