Information card for entry 7011788

Structure parameters

• Formula: C61 H77 N6 Na3 O4
• Calculated formula: C61 H69 N6 Na3 O4
• SMILES: [Na]12([N]3([Na]4([O]5CCCC5)([O]5CCCC5)[N]2(c2ccc(cc2)C)C=[N]4([Na]2([N](=C3)c3ccc(cc3)C)([O]3CCCC3)[N]1(c1ccc(cc1)C)C=[N]2c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)[O]1CCCC1
• Title of publication: Synthesis and structural characterisation of some novel lithium and sodium N,N???-di(para-tolyl)formamidinate complexes
• Authors of publication: Cole, Marcus L.; Junk, Peter C.; Louis, Lance M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3906
• a: 13.189 ± 0.003 Å
• b: 14.601 ± 0.003 Å
• c: 18.462 ± 0.004 Å
• α: 69.586 ± 0.004°
• β: 88.714 ± 0.005°
• γ: 68.047 ± 0.005°
• Cell volume: 3066.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3271
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.758
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No