Information card for entry 4307011

Structure parameters

• Formula: C44 H35 Cu N4 O11.25 S3
• Calculated formula: C44 H35 Cu N4 O11.2 S3
• Title of publication: Three Guest-Including Coordination Solids from a Single Crystallization: A Discrete Cage and Open-Channel Networks from 1-D Ladders and 1-D Ribbons
• Authors of publication: Amir H. Mahmoudkhani; George K. H. Shimizu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1593 - 1602
• a: 17.118 ± 0.0002 Å
• b: 21.266 ± 0.0003 Å
• c: 21.872 ± 0.0004 Å
• α: 99.079 ± 0.001°
• β: 109.795 ± 0.001°
• γ: 102.655 ± 0.001°
• Cell volume: 7072.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1519
• Residual factor for significantly intense reflections: 0.1343
• Weighted residual factors for significantly intense reflections: 0.3454
• Weighted residual factors for all reflections included in the refinement: 0.3698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.472
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No