Information card for entry 7020975

Structure parameters

• Formula: C38 H86 N8 Na4 P4
• Calculated formula: C32 H58.5 N8 Na4 P4
• SMILES: C(C)(C)(C)N1P2N(C(C)(C)C)P1[N]1(C(C)(C)C)[Na][N]3(P4N(P(N4C(C)(C)C)[N](C(C)(C)C)([Na][N]2(C(C)(C)C)[Na]3)[Na]1)C(C)(C)C)C(C)(C)C
• Title of publication: A planar dianionic ditelluride and a cyclic tritelluride supported by P2N2 rings
• Authors of publication: Nordheider, Andreas; Chivers, Tristram; Thirumoorthi, Ramalingam; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Vargas-Baca, Ignacio
• Journal of publication: Dalton Transactions
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3291
• a: 21.71 ± 0.004 Å
• b: 21.271 ± 0.004 Å
• c: 22.414 ± 0.005 Å
• α: 90°
• β: 106.51 ± 0.03°
• γ: 90°
• Cell volume: 9924 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.133
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.2652
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No