Information card for entry 4327784

Structure parameters

• Formula: C54 H80 Li2 N6
• Calculated formula: C54 H80 Li2 N6
• SMILES: [Li]123[N](C(=[N]3c3c(cccc3C(C)C)C(C)C)N(C)C)(c3c(cccc3C(C)C)C(C)C)[Li]([N]2(C(=[N]1c1c(cccc1C(C)C)C(C)C)N(C)C)c1c(cccc1C(C)C)C(C)C)
• Title of publication: Multinuclear Copper(I) Guanidinate Complexes
• Authors of publication: Alexander M. Willcocks; Thomas P. Robinson; Christopher Roche; Thomas Pugh; Stephen P. Richards; Andrew J. Kingsley; John P. Lowe; Andrew L. Johnson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 246 - 257
• a: 13.16 ± 0.0001 Å
• b: 20.754 ± 0.0002 Å
• c: 38.173 ± 0.0003 Å
• α: 90°
• β: 92.73 ± 0.002°
• γ: 90°
• Cell volume: 10414.1 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No