Information card for entry 4112433

Structure parameters

• Chemical name: Rubidium 18-crown-6 nitrobenzenide
• Formula: C18 H29 N O8 Rb
• Calculated formula: C18 H29 N O8 Rb
• Title of publication: Crystallographic Distinction between "Contact" and "Separated" Ion Pairs: Structural Effects on Electronic/ESR Spectra of Alkali-Metal Nitrobenzenides
• Authors of publication: Milya G. Davlieva; Jian-Ming Lü; Sergey V. Lindeman; Jay K. Kochi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4557 - 4565
• a: 10.6 ± 0.0005 Å
• b: 7.6557 ± 0.0004 Å
• c: 26.779 ± 0.0012 Å
• α: 90°
• β: 97.338 ± 0.001°
• γ: 90°
• Cell volume: 2155.33 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.0801
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No