Information card for entry 7001032

Structure parameters

• Formula: C156 H134 Cl30 Co14 N22 Na4 O48 P6
• Calculated formula: C156 H118 Cl30 Co14 N22 Na4 O48 P6
• 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: 18.3288 ± 0.0009 Å
• b: 26.0845 ± 0.0011 Å
• c: 22.1377 ± 0.001 Å
• α: 90°
• β: 92.74 ± 0.003°
• γ: 90°
• Cell volume: 10571.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.6934 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No