Information card for entry 7031614

Structure parameters

• Formula: C21 H25 Cr I N O7 Re
• Calculated formula: C21 H25 Cr I N O7 Re
• SMILES: [Re](I)([c]12[cH]3[Cr]4561([cH]3[cH]4[cH]5[cH]26)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: A halogenophilic pathway in the reactions of transition metal carbonyl anions with [(η(6)-iodobenzene)Cr(CO)3].
• Authors of publication: Sazonov, Petr K.; Ivushkin, Vasiliy A.; Khrustalev, Victor N.; Kolotyrkina, Natal'ya G.; Beletskaya, Irina P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13392 - 13398
• a: 7.5063 ± 0.0002 Å
• b: 29.7019 ± 0.0008 Å
• c: 11.2833 ± 0.0003 Å
• α: 90°
• β: 95.617 ± 0.001°
• γ: 90°
• Cell volume: 2503.55 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No