Information card for entry 4072913

Structure parameters

• Formula: C53 H76 N5 Na2 O2 U2
• Calculated formula: C53 H76 N5 Na2 O2 U2
• SMILES: [U]12345678([N]#C[U]9%10%11%12%13%14%15%16(C#N)(C#N)([c]%17([c]9([c]%10([c]%11([c]%12%17C)C)C)C)C)[c]9([c]%13([c]%14([c]%15([c]%169C)C)C)C)C)(C#N)(C#N)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.[Na+].[Na+].O1CCCC1.O1CCCC1
• Title of publication: Cyanide Metallocenes of Trivalent f-Elements
• Authors of publication: Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2623 - 2629
• a: 35.8003 ± 0.0015 Å
• b: 12.2794 ± 0.0005 Å
• c: 27.5754 ± 0.0013 Å
• α: 90°
• β: 106.107 ± 0.003°
• γ: 90°
• Cell volume: 11646.5 ± 0.9 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: 0.0581
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No