Information card for entry 4341464

Structure parameters

• Formula: C17 H18 Cl N4 O8 Re
• Calculated formula: C17 H18 Cl N4 O8 Re
• SMILES: [Re]1([n]2n(c3c(c2)cccc3)C(=[NH]1)C)([N]#CC)(C#[O])(C#[O])C#[O].Cl(=O)(=O)(=O)[O-].C(=O)(C)C
• Title of publication: Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: A Systematic Study.
• Authors of publication: Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141107133009008
• a: 10.0713 ± 0.0006 Å
• b: 10.9065 ± 0.0008 Å
• c: 10.9714 ± 0.0006 Å
• α: 90.522 ± 0.005°
• β: 96.147 ± 0.005°
• γ: 108.719 ± 0.006°
• Cell volume: 1133.61 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No