Information card for entry 7015631

Structure parameters

• Formula: C5 H9 I2 N3 Pt
• Calculated formula: C5 H9 I2 N3 Pt
• SMILES: [Pt]1(I)(I)[n]2n(ccc2)CC[NH2]1
• Title of publication: Pt(ii) complexes with bidentate and tridentate pyrazolyl-containing chelators: synthesis, structural characterization and biological studies.
• Authors of publication: Francisco, Carla; Gama, Sofia; Mendes, Filipa; Marques, Fernanda; Cordeiro Dos Santos, Isabel; Paulo, António; Santos, Isabel; Coimbra, Joana; Gabano, Elisabetta; Ravera, Mauro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 21
• Pages of publication: 5781 - 5792
• a: 17.8791 ± 0.0002 Å
• b: 6.7986 ± 0.0006 Å
• c: 8.3581 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1015.95 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No