Information card for entry 4073725

Structure parameters

• Formula: C44 H26 Cr2 O8
• Calculated formula: C44 H26 Cr2 O8
• SMILES: [Cr]12345([c]6([cH]1[cH]2[cH]3[cH]4[cH]56)C#Cc1c(c(c2c(c1)cccc2)c1c(c(cc2ccccc12)C#C[c]12[cH]3[Cr]4561([cH]3[cH]4[cH]5[cH]26)(C#[O])(C#[O])C#[O])OC)OC)(C#[O])(C#[O])C#[O]
• Title of publication: (η6-Arene)tricarbonylchromium and Ferrocene Complexes Linked to Binaphthyl Derivatives
• Authors of publication: Germaneau, Romain; Chavignon, René; Tranchier, Jean-Philippe; Rose-Munch, Françoise; Rose, Eric; Collot, Mayeul; Duhayon, Carine
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6139
• a: 10.61 ± 0.0016 Å
• b: 24.26 ± 0.007 Å
• c: 14.354 ± 0.004 Å
• α: 90°
• β: 107.978 ± 0.017°
• γ: 90°
• Cell volume: 3514.3 ± 1.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.1592
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections: 0.1775
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0468
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No