Information card for entry 7104486

Structure parameters

• Formula: C18 H22 Cl N6 O7 Re
• Calculated formula: C18 H22 Cl N6 O7 Re
• SMILES: [Re]([n]1[nH]c(cc1C)C)([n]1[nH]c(cc1C)C)([NH2]c1ncccc1)(C#[O])(C#[O])C#[O].Cl(=O)(=O)(=O)[O-]
• Title of publication: Metal complexes with two different hydrogen-bond donor ligands as anion hosts.
• Authors of publication: Nieto, Sonia; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 3279 - 3281
• a: 13.002 ± 0.012 Å
• b: 11.249 ± 0.011 Å
• c: 17.183 ± 0.016 Å
• α: 90°
• β: 106.685 ± 0.017°
• γ: 90°
• Cell volume: 2407 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No