Information card for entry 4080409

Structure parameters

• Formula: C44 H72 Cl2 Li4 N2 O8
• Calculated formula: C44 H72 Cl2 Li4 N2 O8
• SMILES: [Cl]1[Li]([N]2(c3ccccc3[N]3([Li]([Cl][Li]3([O]3CCCC3)[O]3CCCC3)([O]3CCCC3)[O]3CCCC3)c3c2cccc3)[Li]1([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Heterometallic Aluminum‒Chromium Phenazine and Thiophenazine Complexes. Formation of a Tetranuclear Chromium(I) Sandwich Complex
• Authors of publication: Shuster, Vladimir; Gambarotta, Sandro; Nikiforov, Grigory B.; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 2329
• a: 10.272 ± 0.003 Å
• b: 11.348 ± 0.004 Å
• c: 11.912 ± 0.004 Å
• α: 104.347 ± 0.004°
• β: 102.76 ± 0.005°
• γ: 109.161 ± 0.004°
• Cell volume: 1199.4 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No