Information card for entry 7035125

Structure parameters

• Formula: C22 H32 Cl2 Li2 N6 O
• Calculated formula: C22 H32 Cl2 Li2 N6 O
• SMILES: [Li]1([Cl][Li]([Cl]1)([n]1c(N)ccc(c1)C)[n]1c(N)ccc(c1)C)([O]1CCCC1)[n]1c(N)ccc(c1)C
• Title of publication: Imido-pyridine Ti(iv) compounds: synthesis of unusual imido-amido heterobimetallic derivatives.
• Authors of publication: Pedrosa, Sergio; Vidal, Fernando; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Gómez-Sal, Pilar; Mosquera, Marta E. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11119 - 11128
• a: 10.457 ± 0.011 Å
• b: 28.056 ± 0.008 Å
• c: 9.083 ± 0.007 Å
• α: 90°
• β: 100.46 ± 0.08°
• γ: 90°
• Cell volume: 2621 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.1152
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No