Information card for entry 1556357

Structure parameters

• Formula: C87 H114 O2 P8 Pt2
• Calculated formula: C87 H114 O2 P8 Pt2
• SMILES: [P]123CC(=C(C[P]2([Pt]2([P]45[P]([Pt]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P]16CC(=C(C)C[P]26CC(=C(C)C1)C)C)(CC(=C(C)C5)C)CC(=C(C)C4)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=C(C)C3)C)C)C.C1COCC1.O1CCCC1.c1(ccccc1)C
• Title of publication: Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals
• Authors of publication: Tofan, Daniel; Cummins, Christopher C.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 2474
• a: 20.4091 ± 0.0011 Å
• b: 16.3489 ± 0.0009 Å
• c: 26.2219 ± 0.0018 Å
• α: 90°
• β: 111.97 ± 0.001°
• γ: 90°
• Cell volume: 8114 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No