Information card for entry 4309022

Structure parameters

• Formula: C36.5 H80.5 Cl4 N8 O15.75 P2
• Calculated formula: C36.5 H80.5 Cl4 N8 O15.75 P2
• Title of publication: Tritopic (Cascade) and Ditopic Complexes of Halides with an Azacryptand
• Authors of publication: Md. Alamgir Hossain; Paula Morehouse; Douglas Powell; Kristin Bowman-James
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2143 - 2149
• a: 30.9882 ± 0.0017 Å
• b: 20.6547 ± 0.0011 Å
• c: 32.8991 ± 0.0018 Å
• α: 90°
• β: 90.456 ± 0.002°
• γ: 90°
• Cell volume: 21056 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2839
• Weighted residual factors for all reflections included in the refinement: 0.3049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No