Information card for entry 7007829

Structure parameters

• Formula: C10 H10 Cl4 N6 Re
• Calculated formula: C10 H10 Cl4 N6 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(Cl)[n]2n(ccc2)C(n2[n]1ccc2)n1nccc1
• Title of publication: Rhenium complexes of tris(pyrazolyl)methanes and sulfonate derivative.
• Authors of publication: Alegria, Elisabete C. B.; Martins, Luísa M D R S; Haukka, Matti; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 41
• Pages of publication: 4954 - 4961
• a: 11.6713 ± 0.0004 Å
• b: 11.7518 ± 0.0003 Å
• c: 11.3972 ± 0.0003 Å
• α: 90°
• β: 98.162 ± 0.002°
• γ: 90°
• Cell volume: 1547.39 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No