Information card for entry 2222953

Structure parameters

• Chemical name: Di-μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>,2:3κ^2^<i>N</i>:<i>C</i>- hexacyanido-1κ^3^<i>C</i>,3κ^3^<i>C</i>-tetrakis(1,10-phenanthroline)- 1κ^2^<i>N</i>,<i>N</i>';2κ^4^<i>N</i>,<i>N</i>';3κ^2^<i>N</i>,<i>N</i>'- 1,3-dicobalt(III)-2-iron(II) tetrahydrate
• Formula: C56 H40 Co2 Fe N16 O4
• Calculated formula: C56 H40 Co2 Fe N16 O4
• Title of publication: Di-μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>,2:3κ^2^<i>N</i>:<i>C</i>-hexacyanido-1κ^3^<i>C</i>,3κ^3^<i>C</i>-tetrakis(1,10-phenanthroline)-1κ^2^<i>N</i>,<i>N</i>';2κ^4^<i>N</i>,<i>N</i>';3κ^2^<i>N</i>,<i>N</i>'-1,3-dicobalt(III)-2-iron(II) tetrahydrate
• Authors of publication: Zhang, Ying; Yuan, Ai-Hua; Zhou, Hu; Guo, Ji-Xi; Liu, Lang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1033 - m1034
• a: 12.855 ± 0.003 Å
• b: 14.006 ± 0.003 Å
• c: 16.334 ± 0.003 Å
• α: 72.68 ± 0.03°
• β: 82.54 ± 0.03°
• γ: 65.99 ± 0.03°
• Cell volume: 2564.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes