Information card for entry 4317364

Structure parameters

• Formula: C12 H16 Cl2 Fe N6 O8
• Calculated formula: C12 H16 Cl2 Fe N6 O8
• Title of publication: Nitrile-Rich Coordination Polymer ^1^~\ιnfty~{[Fe(CH~3~CN)~4~(pyrazine)](ClO~4~)~2~} Exhibiting a HS \λeftarrow→LS Transition
• Authors of publication: Agata Białońska; Andrew Ozarowski; Robert Bronisz; Kamilla Darowska; Krzysztof Drabent; Joachim Kusz; Miłosz Siczek; Marek Weselski; Maciej Zubko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11267 - 11269
• a: 11.8331 ± 0.0002 Å
• b: 12.0266 ± 0.0002 Å
• c: 14.2175 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.32 ± 0.06 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No