Information card for entry 7014841

Structure parameters

• Formula: C88 H94 Co2 F30 N14 O14 P5
• Calculated formula: C88 H94 Co2 F30 N14 O14 P5
• 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: 10.9291 ± 0.0002 Å
• b: 12.118 ± 0.0002 Å
• c: 20.5108 ± 0.0004 Å
• α: 85.1137 ± 0.0012°
• β: 87.2782 ± 0.0011°
• γ: 72.651 ± 0.001°
• Cell volume: 2582.73 ± 0.08 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: 0.1105
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No