Information card for entry 2202131

Structure parameters

• Formula: C15 H26 Cu Fe N12 O2
• Calculated formula: C15 H26 Cu Fe N12 O2
• SMILES: [Cu]123([N]#C[Fe](N=O)(C#N)(C#N)(C#N)C#N)[N]4(CN5C[N]1(CN(C4)CC5)CC[NH2]2)CC[NH2]3.O
• Title of publication: A cyano-bridged binuclear Cu‒Fe complex based on nitroprusside
• Authors of publication: Peng, Xi; Kou, Hui-Zhong; Xiong, Ming; Wang, Ru-Ji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m252 - m254
• a: 9.336 ± 0.0019 Å
• b: 11.013 ± 0.002 Å
• c: 12.02 ± 0.002 Å
• α: 71.36 ± 0.03°
• β: 81.26 ± 0.03°
• γ: 72.34 ± 0.03°
• Cell volume: 1113.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No