Information card for entry 4307009

Structure parameters

• Formula: C115 H99 Cu3 N13.4 O19 S6
• Calculated formula: C115 H97 Cu3 N13.4 O19 S6
• 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: 10.51 ± 0.002 Å
• b: 14.158 ± 0.003 Å
• c: 21.748 ± 0.004 Å
• α: 108.91 ± 0.03°
• β: 93.16 ± 0.03°
• γ: 90.43 ± 0.03°
• Cell volume: 3055.7 ± 1.2 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: 0.111
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No