Information card for entry 2207043

Structure parameters

• Chemical name: fac-Trichloro(pyrazolato)bis(pyrazole)platinum(IV)
• Formula: C9 H11 Cl3 N6 Pt
• Calculated formula: C9 H11 Cl3 N6 Pt
• SMILES: c1c[n]([Pt](Cl)([n]2ccc[nH]2)(n2cccn2)(Cl)Cl)[nH]c1
• Title of publication: <i>fac</i>-Trichloro(pyrazolato)bis(pyrazole)platinum(IV)
• Authors of publication: Khripun, Anatoly V.; Haukka, Matti; Nikolaeva, Dina N.; Kukushkin, Vadim Yu.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2069 - m2071
• a: 6.8307 ± 0.0006 Å
• b: 13.5005 ± 0.0007 Å
• c: 7.6421 ± 0.0007 Å
• α: 90°
• β: 94.888 ± 0.003°
• γ: 90°
• Cell volume: 702.18 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes