Information card for entry 4309018

Structure parameters

• Formula: C36 H74.46 Br6 N8 O7.23
• Calculated formula: C36 H74.455 Br6.0005 N8 O7.2275
• 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: 10.7509 ± 0.0005 Å
• b: 19.0486 ± 0.0008 Å
• c: 26.3302 ± 0.0012 Å
• α: 107.737 ± 0.002°
• β: 101.134 ± 0.002°
• γ: 90.68 ± 0.002°
• Cell volume: 5024.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No