Information card for entry 7101158

Structure parameters

• Formula: C26 H32 Cl2 N8 O6 Re2
• Calculated formula: C26 H32 Cl2 N8 O6 Re2
• SMILES: [Re](Cl)([n]1[nH]c(cc1C)C)([n]1[nH]c(cc1C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Cationic fac-tris(pyrazole) complexes as anion receptors.
• Authors of publication: Sonia Nieto; Julio Perez; Victor Riera; Daniel Miguel; Celedonio Alvarez
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 4
• a: 13.765 ± 0.003 Å
• b: 18.596 ± 0.004 Å
• c: 13.707 ± 0.003 Å
• α: 90°
• β: 97.329 ± 0.004°
• γ: 90°
• Cell volume: 3479.8 ± 1.3 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: 0.0353
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No