Information card for entry 7014843

Structure parameters

• Formula: C96 H106 Co2 F36 N18 O14 P6
• Calculated formula: C96 H106 Co2 F36 N18 O14 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: 11.8008 ± 0.0004 Å
• b: 20.211 ± 0.0007 Å
• c: 24.1339 ± 0.0008 Å
• α: 90°
• β: 96.66 ± 0.002°
• γ: 90°
• Cell volume: 5717.2 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections: 0.1474
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No