Information card for entry 4315141

Structure parameters

• Formula: C77 H80 Ag2 B2 F8 N4 O5 P2 Pt2
• Calculated formula: C77 H80 Ag2 B2 F8 N4 O5 P2 Pt2
• SMILES: [B](F)(F)(F)[F-].[P]1([Pt]23([Ag]4([n]5c1cccc5)[Ag]1([c]53cccc3ccc6ccc[n]2c6c53)[n]2c([P]([Pt]31(C)[n]1cccc5ccc6ccc[c]43c6c15)(c1ccccc1)c1ccccc1)cccc2)C)(c1ccccc1)c1ccccc1.O=C(C)C.O=C(C)C.O=C(C)C.[B](F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: Cyclometalated Cluster Complex with a Butterfly-Shaped Pt2Ag2 Core
• Authors of publication: Sirous Jamali; Zahra Mazloomi; S. Masoud Nabavizadeh; Dalibor Milić; Reza Kia; Mehdi Rashidi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2721 - 2726
• a: 23.2342 ± 0.0013 Å
• b: 18.1759 ± 0.0012 Å
• c: 17.5809 ± 0.0012 Å
• α: 90°
• β: 96.314 ± 0.01°
• γ: 90°
• Cell volume: 7379.4 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No