Information card for entry 4322765

Structure parameters

• Formula: C36 H49 K N2
• Calculated formula: C36 H49 K N2
• SMILES: [K]1N(c2c(C(C)C)cccc2C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C.Cc1ccccc1
• Title of publication: Structural Characterization of [(2,6-Pri2C6H3)NC(Me)C(H)C(Me)N(2,6-Pri2C6H3)K.PhCH3]\ιnfty: A Heavy Alkali Metal Diazapentadienyl Complex
• Authors of publication: William Clegg; Elaine K. Cope; Andrew J. Edwards; Francis S. Mair
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2317 - 2319
• a: 10.6537 ± 0.0009 Å
• b: 26.2 ± 0.002 Å
• c: 11.9055 ± 0.001 Å
• α: 90°
• β: 99.137 ± 0.002°
• γ: 90°
• Cell volume: 3281 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• 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: 0.1092
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections: 0.1604
• Weighted residual factors for significantly intense reflections: 0.1375
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No