Information card for entry 4324210

Structure parameters

• Formula: C45 H72 Cr Fe2 N2 O13 Pb
• Calculated formula: C45 H72 Cr Fe2 N2 O13 Pb
• SMILES: C([Fe](C#[O])(C#[O])(C#[O])[Pb]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[Fe](C#[O])(C#[O])(C#[O])C#[O])#[O].C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Lead-Chromium Carbonyl Complexes Incorporated with Group 8 Metals: Synthesis, Reactivity, and Theoretical Calculations
• Authors of publication: Minghuey Shieh; Yen-Yi Chu; Miao-Hsing Hsu; Wei-Ming Ke; Chien-Nan Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 565 - 575
• a: 12.281 ± 0.003 Å
• b: 33.391 ± 0.01 Å
• c: 13.865 ± 0.004 Å
• α: 90°
• β: 90.32 ± 0.02°
• γ: 90°
• Cell volume: 5686 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1652
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No