Information card for entry 4318393

Structure parameters

• Formula: C40 H90 K2 N8 O2 P4 Se2
• Calculated formula: C40 H90 K2 N8 O2 P4 Se2
• SMILES: [Se]=P1(N(P(N1C(C)(C)C)NC(C)(C)C)C(C)(C)C)[N]1([K]([O]2CCCC2)[N]([K]1[O]1CCCC1)(P1(=[Se])N(P(N1C(C)(C)C)NC(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Syntheses and X-ray Structures of Potassium Derivatives and a Paramagnetic Nickel(II) Complex of a Cyclodiphosph(III/V)azane Monoselenide
• Authors of publication: Tristram Chivers; Mark Krahn; Gabriele Schatte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4348 - 4354
• a: 10.6393 ± 0.0011 Å
• b: 9.7769 ± 0.001 Å
• c: 28.036 ± 0.003 Å
• α: 90°
• β: 94.4827 ± 0.0016°
• γ: 90°
• Cell volume: 2907.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No