Information card for entry 7046245

Structure parameters

• Formula: C48 H80 Ca3 I2 O6 Si2
• Calculated formula: C48 H80 Ca3 I2 O6 Si2
• Title of publication: Well-defined styryl and biphenyl calcium complexes from dilithio compounds and calcium iodide: synthesis, structure and reactivity toward nitrous oxide.
• Authors of publication: Wei, Baosheng; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 12540 - 12545
• a: 12.3201 ± 0.0002 Å
• b: 17.4852 ± 0.0004 Å
• c: 34.1897 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7365.1 ± 0.2 ų
• Cell temperature: 180 ± 0.3 K
• Ambient diffraction temperature: 180 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No