Information card for entry 7114517

Structure parameters

• Formula: C179 H170 Cd6 N26 O46
• Calculated formula: C179 H159 Cd6 N26 O46
• Title of publication: A ???three-in-one??? crystal of coordination networksElectronic supplementary information (ESI) available: ORTEP drawings for 2, 3 and 4. See http://www.rsc.org/suppdata/cc/b2/b203025j/
• Authors of publication: Biradha, Kumar; Fujita, Makoto
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1866
• a: 14.692 ± 0.002 Å
• b: 15.522 ± 0.002 Å
• c: 20.387 ± 0.003 Å
• α: 79.36 ± 0.003°
• β: 74.95 ± 0.003°
• γ: 83.088 ± 0.004°
• Cell volume: 4399.7 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1946
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No