Information card for entry 4332608

Structure parameters

• Formula: C46 H46 Cr4 N2 O22 Pb2
• Calculated formula: C46 H46 Cr4 N2 O22 Pb2
• SMILES: [N+](Cc1ccccc1)(CC)(CC)CC.C(#[O])[Cr](C#[O])(C#[O])(C#[O])([Pb]1([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[OH][Pb]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[OH]1)C#[O].[N+](Cc1ccccc1)(CC)(CC)CC
• Title of publication: Carbon Dioxide Fixation by an Unprecedented Hydroxo Lead−Chromium Carbonyl Complex: Synthesis, Reactivity, and Theoretical Calculations
• Authors of publication: Hsu, Miao-Hsing; Chen, Rung-Tsang; Sheu, Wen-Shyan; Shieh, Minghuey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6740 - 6747
• a: 10.283 ± 0.006 Å
• b: 12.198 ± 0.003 Å
• c: 12.236 ± 0.004 Å
• α: 83.05 ± 0.03°
• β: 78.77 ± 0.03°
• γ: 69.06 ± 0.04°
• Cell volume: 1403.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No