Information card for entry 7111353

Structure parameters

• Formula: C74 H78 N4 O6 P2 Pt
• Calculated formula: C74 H78 N4 O6 P2 Pt
• SMILES: C(#Cc1cccc(c1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)[Pt](C#Cc1cccc(c1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1.O1CCCC1
• Title of publication: Intramolecular exchange interaction in twofold spin-labelled platinum complexes
• Authors of publication: Stroh, Christophe; Mayor, Marcel; von H�nisch, Carsten; Turek, Philippe
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 18
• Pages of publication: 2050 - 2051
• a: 9.752 ± 0.002 Å
• b: 12.068 ± 0.002 Å
• c: 14.92 ± 0.003 Å
• α: 76.54 ± 0.03°
• β: 89.08 ± 0.03°
• γ: 69.46 ± 0.03°
• Cell volume: 1594.9 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No