Information card for entry 7113391

Structure parameters

• Formula: C36 H57 F3 Mo N2 O13 S
• Calculated formula: C36 H57 F3 Mo N2 O13 S
• Title of publication: A (H2O)4/crown ether network spanned between organometallic complex metal fragments.
• Authors of publication: Rodrigues, Cristina Wippert; Limberg, Christian; Pritzkow, Hans
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2734 - 2735
• a: 10.3645 ± 0.0005 Å
• b: 13.117 ± 0.0006 Å
• c: 17.6983 ± 0.0009 Å
• α: 104.817 ± 0.001°
• β: 100.72 ± 0.001°
• γ: 106.751 ± 0.001°
• Cell volume: 2137.94 ± 0.18 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No