Information card for entry 4320838

Structure parameters

• Common name: cesium tetrabenzo-24-crown-8 bis(acetonitrile) (methylene chloride) nitrate
• Formula: C37 H40 Cl2 Cs N3 O11
• Calculated formula: C37 H40 Cl2 Cs N3 O11
• SMILES: [Cs]12345678([Cl]C[Cl]1)([N]#CC)([N]#CC)[O]1c9c([O]2CC[O]3c2c([O]4CC[O]5c3c([O]6CC[O]7c4c([O]8CC1)cccc4)cccc3)cccc2)cccc9.N(=O)(=O)[O-]
• Title of publication: Unusual Ligand Coordination for Cesium
• Authors of publication: Jeffrey C. Bryan; Konstantinos Kavallieratos; Richard A. Sachleben
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1568 - 1572
• a: 12.295 ± 0.003 Å
• b: 13.295 ± 0.003 Å
• c: 13.782 ± 0.003 Å
• α: 89.105 ± 0.017°
• β: 66.096 ± 0.018°
• γ: 70.98 ± 0.019°
• Cell volume: 1929.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No