Information card for entry 7014838

Structure parameters

• Formula: C112 H109 Co3 F54 N20 O15.5 P9
• Calculated formula: C112 H102 Co3 F54 N20 O15.5 P9
• Title of publication: When is a metallopolymer not a metallopolymer? When it is a metallomacrocycle.
• Authors of publication: Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1524 - 1534
• a: 19.4562 ± 0.0005 Å
• b: 21.1099 ± 0.0006 Å
• c: 23.1829 ± 0.0005 Å
• α: 114.304 ± 0.0015°
• β: 107.092 ± 0.0015°
• γ: 94.3568 ± 0.0013°
• Cell volume: 8079.8 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.197
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections: 0.2307
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No