Information card for entry 7101146

Structure parameters

• Formula: C15 H18 Fe4 N16 O9
• Calculated formula: C15 H18 Fe4 N16 O9
• SMILES: C(=O)(C)C.c1n2[Fe](N=O)(n3c[n](cc3)[Fe](N=O)([n]3cn(cc3)[Fe](N=O)(n3c[n]([Fe](N=O)([n]1cc2)N=O)cc3)N=O)N=O)N=O
• Title of publication: A cyclic tetra-nuclear dinitrosyl iron complex [Fe(NO)2(imidazolate)]4: synthesis, structure and stability
• Authors of publication: Wang, Ximeng; Sundberg, Eric B.; Li, Lijuan; Kantardjieff, Katherine A.; Herron, Steven R.; Lim, Mark; Ford, Peter C.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2005
• Journal issue: 4
• Pages of publication: 477 - 479
• a: 21.3 ± 0.03 Å
• b: 6.709 ± 0.009 Å
• c: 22.73 ± 0.03 Å
• α: 90°
• β: 103.93 ± 0.04°
• γ: 90°
• Cell volume: 3153 ± 7 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No