Information card for entry 4102411

Structure parameters

• Formula: C84 H80 As4 Br2 Pt2
• Calculated formula: C84 H80 As4 Br2 Pt2
• SMILES: [Pt]1234([Pt](Br)([As](c5c3cc(cc5)C(C)C)(c3ccccc3)c3ccccc3)([As](c3c4cc(cc3)C(C)C)(c3ccccc3)c3ccccc3)(c3c([As]1(c1ccccc1)c1ccccc1)ccc(c3)C(C)C)c1c([As]2(c2ccccc2)c2ccccc2)ccc(c1)C(C)C)Br
• Title of publication: Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature
• Authors of publication: Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7094 - 7103
• a: 14.2622 ± 0.0002 Å
• b: 21.2716 ± 0.0002 Å
• c: 24.0645 ± 0.0002 Å
• α: 90°
• β: 105.077 ± 0.0006°
• γ: 90°
• Cell volume: 7049.36 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No