Information card for entry 7014842

Structure parameters

• Formula: C96 H102 Co2 F36 N22 O10 P6
• Calculated formula: C96 H102 Co2 F36 N22 O10 P6
• 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: 9.6391 ± 0.0006 Å
• b: 17.224 ± 0.001 Å
• c: 18.7747 ± 0.001 Å
• α: 71.629 ± 0.002°
• β: 80.633 ± 0.002°
• γ: 74.851 ± 0.002°
• Cell volume: 2844.4 ± 0.3 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: 0.0916
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1505
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No