Information card for entry 7012794

Structure parameters

• Formula: C27 H18 Fe2 N16 O
• Calculated formula: C27 H18 Fe2 N16 O
• Title of publication: Spin transition centres linked by the nitroprusside ion. The cooperative transition in bis(2,6-bis(pyrazol-3-yl)pyridine)iron(ii) nitroprusside
• Authors of publication: Sugiyarto, Kristian H.; McHale, Wendy-Anne; Craig, Donald C.; Rae, A. David; Scudder, Marcia L.; Goodwin, Harold A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2443
• a: 18.8716 ± 0.0002 Å
• b: 18.8716 ± 0.0002 Å
• c: 16.6791 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5940.05 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P n c a
• Hall space group symbol: -P 2a 2n
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No