Information card for entry 4340464

Structure parameters

• Formula: C10 H7 Cl N O11 Re
• Calculated formula: C10 H7 Cl N O11 Re
• SMILES: [Re](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[N]CC(=O)OCC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Technetium and Rhenium Pentacarbonyl Complexes with C2 and C11 ω-Isocyanocarboxylic Acid Esters.
• Authors of publication: Miroslavov, Alexander E.; Polotskii, Yuriy S.; Gurzhiy, Vladislav V.; Ivanov, Alexander Yu; Lumpov, Alexander A.; Tyupina, Margarita Yu; Sidorenko, Georgy V.; Tolstoy, Peter M.; Maltsev, Daniil A.; Suglobov, Dmitry N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 7861
• a: 7.4238 ± 0.001 Å
• b: 11.6101 ± 0.0016 Å
• c: 18.942 ± 0.003 Å
• α: 90°
• β: 91.096 ± 0.003°
• γ: 90°
• Cell volume: 1632.3 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No