Information card for entry 7013788

Structure parameters

• Formula: C28 H52 Cl2 Li2 N12
• Calculated formula: C28 H52 Cl2 Li2 N12
• SMILES: [Li]1([Cl][Li]([Cl]1)([N]1=C2NCCCN2CCC1)[N]1=C2NCCCN2CCC1)([N]1=C2NCCCN2CCC1)[N]1=C2NCCCN2CCC1
• Title of publication: Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.
• Authors of publication: Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 537 - 546
• a: 8.8979 ± 0.0007 Å
• b: 19.272 ± 0.0019 Å
• c: 10.7363 ± 0.0008 Å
• α: 90°
• β: 113.465 ± 0.005°
• γ: 90°
• Cell volume: 1688.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No