Information card for entry 7020374

Structure parameters

• Formula: C100 H110 Co4 F24 N46 O30 S8
• Calculated formula: C100 H98 Co4 F24 N46 O30 S8
• Title of publication: Self-ordering of metallogrid complexes via directed hydrogen-bonding.
• Authors of publication: Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 45
• Pages of publication: 13848 - 13855
• a: 17.0408 ± 0.0004 Å
• b: 29.0227 ± 0.0006 Å
• c: 31.0259 ± 0.0005 Å
• α: 95.28 ± 0.001°
• β: 98.156 ± 0.001°
• γ: 97.466 ± 0.001°
• Cell volume: 14964.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2382
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.2921
• Weighted residual factors for all reflections included in the refinement: 0.3503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No