Information card for entry 7104643

Structure parameters

• Formula: C42 H47 Cl2 Cu3 N6 O23.5
• Calculated formula: C42 H46 Cl2 Cu3 N6 O23.5
• Title of publication: Water helicate (H(2)O)(7), hosted by a diamondoid metal-organic framework.
• Authors of publication: Mir, Mohammad Hedayetullah; Wang, Li; Wong, Ming Wah; Vittal, Jagadese J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 30
• Pages of publication: 4539 - 4541
• a: 19.791 ± 0.003 Å
• b: 22.674 ± 0.003 Å
• c: 12.877 ± 0.0017 Å
• α: 90°
• β: 113.271 ± 0.003°
• γ: 90°
• Cell volume: 5308.2 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No