Information card for entry 4322792

Structure parameters

• Formula: C16 H36 N4 P2 Tl2
• Calculated formula: C16 H36 N4 P2 Tl2
• SMILES: [Tl]12[N]3(C(C)(C)C)[Tl]4[N]5(P([N]1(C(C)(C)C)P35)[N]24C(C)(C)C)C(C)(C)C
• Title of publication: Syntheses and Molecular Structures of Bis(tert-butylamido)cyclodiphosph(III)azane Cage Complexes of Thallium(I) and Indium(II)
• Authors of publication: Luke Grocholl; Ingo Schranz; Lothar Stahl; Richard J. Staples
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2496 - 2499
• a: 14.505 ± 0.0006 Å
• b: 16.5265 ± 0.0007 Å
• c: 9.9864 ± 0.0004 Å
• α: 90°
• β: 96.3006 ± 0.0009°
• γ: 90°
• Cell volume: 2379.45 ± 0.17 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No