Information card for entry 4319669

Structure parameters

• Formula: C28 H60 K2 N4 O3 P2 Se2
• Calculated formula: C28 H60 K2 N4 O3 P2 Se2
• SMILES: [Se-]P1(N(C(C)(C)C)P([Se-])(N1C(C)(C)C)=NC(C)(C)C)=NC(C)(C)C.[K+].[K+].O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Preparation and X-ray Structures of Alkali-Metal Derivatives of the Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]-
• Authors of publication: Tristram Chivers; Mark Krahn; Masood Parvez; Gabriele Schatte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2547 - 2553
• 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