Information card for entry 8101842

Structure parameters

• Chemical name: pentacarbonyl[(ethoxycarbonyl)(N-diphenylmethylenamino)methylene]chromium(0)
• Formula: C22 H15 Cr N O7
• Calculated formula: C22 H15 Cr N O7
• SMILES: [Cr](=C(N=C(c1ccccc1)c1ccccc1)C(=O)OCC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Crystal structure of pentacarbonyl[(ethoxycarbonyl)(N-diphenylmethylenamino) methylene]chromium(0), Cr(CO)~5~[C(COOC~2~H~5~){NC(C~6~H~5~)~2~}]
• Authors of publication: W. Ponikwar; H. Nöth; H. Dialer; W. Beck
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 499 - 500
• a: 9.7086 ± 0.0009 Å
• b: 21.743 ± 0.002 Å
• c: 10.8014 ± 0.001 Å
• α: 90°
• β: 109.594 ± 0.001°
• γ: 90°
• Cell volume: 2148.1 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No