Information card for entry 4315225

Structure parameters

• Formula: C16 Fe4 Ni2 O15
• Calculated formula: C16 Fe4 Ni2 O15
• SMILES: [Ni]123456([Ni]789%10([Fe]%11%12%13([Fe]%1417([Fe]12%11([Fe]38%12([C]49%13%141)(C#[O])(C#[O])C%10=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C5=O)(C#[O])(C#[O])C#[O])(C#[O])C6=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: 10.5011 ± 0.0007 Å
• b: 10.9743 ± 0.0008 Å
• c: 20.5591 ± 0.0014 Å
• α: 90°
• β: 90.551 ± 0.001°
• γ: 90°
• Cell volume: 2369.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No