Information card for entry 4303509

Structure parameters

• Formula: C96 H112 I2 O14 P2 Te4
• Calculated formula: C96 H110 I2 O14 P2 Te4
• SMILES: CC1(C)C(C)C(C)(C)P21=[O][Te](O[Te](c1ccc(OC)cc1)(OP1(C(C)(C)C(C)C1(C)C)=[O][Te](O[Te](c1ccc(OC)cc1)(O2)c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.[I-].c1ccccc1.c1ccccc1.[I-].c1ccccc1.c1ccccc1
• Title of publication: Halide-Capped Tellurium-Containing Macrocycles
• Authors of publication: Vadapalli Chandrasekhar; Ramalingam Thirumoorthi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10330 - 10337
• a: 14.3925 ± 0.0006 Å
• b: 14.5552 ± 0.0006 Å
• c: 14.7395 ± 0.0006 Å
• α: 60.858 ± 0.001°
• β: 67.639 ± 0.001°
• γ: 89.28 ± 0.001°
• Cell volume: 2436.4 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No