Information card for entry 7110822

Structure parameters

• Formula: C9 H7 Cr N O3
• Calculated formula: C9 H7 Cr N O3
• SMILES: [Cr]12345(C#[O])(C#[O])(C#[O])[c]6([cH]1[cH]2[cH]3[cH]4[cH]56)N
• 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: 7.0198 ± 0.001 Å
• b: 7.394 ± 0.0011 Å
• c: 9.4002 ± 0.0012 Å
• α: 86.089 ± 0.007°
• β: 86.591 ± 0.008°
• γ: 69.457 ± 0.007°
• Cell volume: 455.49 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.405
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No