Information card for entry 7001035

Structure parameters

• Formula: C91 H82 Cl15 Co12 F3 N15 O28 P
• Calculated formula: C91 H78 Cl15 Co12 F3 N15 O28 P
• Title of publication: Synthesis and structural and magnetic characterisation of cobalt(ii)‒sodium phosphonate cage compounds
• Authors of publication: Langley, Stuart; Helliwell, Madeleine; Sessoli, Roberta; Teat, Simon J.; Winpenny, Richard E. P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 3102 - 3110
• a: 14.7152 ± 0.0009 Å
• b: 15.1602 ± 0.0009 Å
• c: 27.155 ± 0.0017 Å
• α: 91.562 ± 0.001°
• β: 100.325 ± 0.001°
• γ: 101.328 ± 0.001°
• Cell volume: 5831.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No