Information card for entry 7012793

Structure parameters

• Formula: C27 H18 Fe2 N16 O
• Calculated formula: C27 H18 Fe2 N16 O4
• 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: 13.346 ± 0.003 Å
• b: 13.346 ± 0.003 Å
• c: 17.273 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3076.6 ± 1.3 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No