Information card for entry 7017512

Structure parameters

• Formula: C18 H17 Cl3 Cr N0 O6
• Calculated formula: C18 H17 Cl3 Cr O6
• SMILES: [Cr]12345([c]67[c]1(C(C)(CCC(=O)O)C(=O)CC6)[cH]2[cH]5[cH]4[cH]37)(C#[O])(C#[O])C#[O].ClC(Cl)Cl
• Title of publication: Planar chiral (η6-arene)Cr(CO)3 containing carboxylic acid derivatives: synthesis and use in the preparation of organometallic analogues of the antibiotic platensimycin.
• Authors of publication: Patra, Malay; Merz, Klaus; Metzler-Nolte, Nils
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 112 - 117
• a: 6.544 ± 0.011 Å
• b: 10.621 ± 0.019 Å
• c: 14.77 ± 0.03 Å
• α: 88.23 ± 0.05°
• β: 82.95 ± 0.03°
• γ: 87.18 ± 0.05°
• Cell volume: 1017 ± 3 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No