Information card for entry 7115152

Structure parameters

• Formula: C28 H60 K2 N4 O3 P2 Se2
• Calculated formula: C28 H60 K2 N4 O3 P2 Se2
• SMILES: [Se]=P12N(C(C)(C)C)P(=[Se])(N1C(C)(C)C)N([K]([O]1CCCC1)N2C(C)(C)C)C(C)(C)C.[K]([O]1CCCC1)[O]1CCCC1
• Title of publication: An extended network of twenty-membered K6Se6P4N4 rings: X-ray structure of {[(THF)K[ButN(Se)P(μ-NBut)2P(Se)NBut]K(THF)2]2}\ιnfty
• Authors of publication: Chivers, Tristram; Krahn, Mark; Parvez, Masood
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 463
• a: 10.733 ± 0.011 Å
• b: 14.085 ± 0.01 Å
• c: 26.138 ± 0.009 Å
• α: 90°
• β: 90.99 ± 0.05°
• γ: 90°
• Cell volume: 3951 ± 5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• 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: 0.2959
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No