Information card for entry 7116694

Structure parameters

• Chemical name: ({[nPr2NH2][Cr7NiF8(O2CCtBu)14(O2CC5H4N)2]}3{[Fe2CoO(O2CtBu)6]}2)n
• Formula: C324 H558 Co2 Cr21 F24 Fe4 N9 Ni3 O122
• Calculated formula: C324 H558 Co1.9998 Cr21 F24 Fe4.0002 N9 Ni3 O122
• Title of publication: An extended framework of cages formed of pre-synthesised and functionalised heterometallic cages
• Authors of publication: Whitehead, George F. S.; Teat, Simon J.; Gagnon, Kevin J.; Timco, Grigore A.; Winpenny, Richard E. P.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 17
• Pages of publication: 3533 - 3536
• a: 63.4959 ± 0.001 Å
• b: 38.2021 ± 0.0007 Å
• c: 71.4099 ± 0.0011 Å
• α: 90°
• β: 114.799 ± 0.002°
• γ: 90°
• Cell volume: 157244 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1471
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.2921
• Weighted residual factors for all reflections included in the refinement: 0.3323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.0333 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7116556
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No