Information card for entry 7110821

Structure parameters

• Formula: C26 H16 Cr2 N2 O8
• Calculated formula: C26 H16 Cr2 N2 O8
• SMILES: [cH]12[c]3([cH]4[cH]5[cH]6[Cr]1345(C#[O])(C#[O])([cH]26)C#[O])NC(=O)c1cc(C(=O)N[c]23[cH]4[cH]5[cH]6[cH]7[cH]2[Cr]34567(C#[O])(C#[O])C#[O])ccc1
• Title of publication: Hydrogen bonding networks and anion coordination in (η6-arene)Cr(CO)3 complexes: metal carbonyls as hydrogen bond acceptors
• Authors of publication: Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Mayer, Thomas A.; Paver, Michael A.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 275
• a: 17.283 ± 0.003 Å
• b: 11.337 ± 0.002 Å
• c: 14.568 ± 0.003 Å
• α: 90°
• β: 125.16 ± 0.03°
• γ: 90°
• Cell volume: 2333.6 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No