Information card for entry 7005481

Structure parameters

• Common name: tetraethylammonium hexa(dicyanonitrosomethanido)neodymiate(iii)
• Chemical name: tetraethylammonium hexa(dicyanonitrosomethanido)neodymiate(III)
• Formula: C42 H60 N21 Nd O6
• Calculated formula: C42 H60 N21 Nd O6
• SMILES: C(=[N]1O[Nd]234561([N](=C(C#N)C#N)O2)([N](=C(C#N)C#N)O3)([N](=C(C#N)C#N)O4)([N](=C(C#N)C#N)O5)[N](=C(C#N)C#N)O6)(C#N)C#N.C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC
• Title of publication: Homoleptic 12-coordinate lanthanoids with eta(2)-nitroso ligands.
• Authors of publication: Chesman, Anthony S. R.; Turner, David R.; Izgorodina, Ekaterina I.; Batten, Stuart R.; Deacon, Glen B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1371 - 1373
• a: 22.4898 ± 0.0003 Å
• b: 22.4898 ± 0.0003 Å
• c: 22.4898 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11375.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No