Information card for entry 4315221

Structure parameters

• Formula: C17 Fe5 Ni O16
• Calculated formula: C17 Fe5 Ni O16
• SMILES: [Ni]12345([Fe]678([Fe]9%10%11([Fe]%1216([Fe]129([Fe]37%10([C]48%11%121)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C5=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])C#[O]
• Title of publication: Synthesis and Structural Characterization of Bimetallic Iron-Nickel Carbido Cluster Complexes
• Authors of publication: Sumit Saha; Lei Zhu; Burjor Captain
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3465 - 3472
• a: 9.029 ± 0.0005 Å
• b: 9.5672 ± 0.0005 Å
• c: 15.5994 ± 0.0008 Å
• α: 85.381 ± 0.001°
• β: 83.673 ± 0.001°
• γ: 63.223 ± 0.001°
• Cell volume: 1194.96 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No