Information card for entry 2225412

Structure parameters

• Chemical name: Bis(2,3,5,6-tetra-2-pyridylpyrazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)iron(II) bis(dicyanamidate) 4.5-hydrate
• Formula: C52 H41 Fe N18 O4.5
• Calculated formula: C52 H41 Fe N18 O4.5
• Title of publication: Bis(2,3,5,6-tetra-2-pyridylpyrazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)iron(II) bis(dicyanamidate) 4.5-hydrate
• Authors of publication: Callejo, L.; De la Pinta, N.; Madariaga, G.; Fidalgo, M.L.; Cortés, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m249 - m250
• a: 13.9216 ± 0.0007 Å
• b: 18.9271 ± 0.0009 Å
• c: 19.1425 ± 0.0009 Å
• α: 90°
• β: 97.017 ± 0.004°
• γ: 90°
• Cell volume: 5006.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1444
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes