Information card for entry 4519122

Structure parameters

• Formula: C48 H42 Cl N O5 P2 Pt S
• Calculated formula: C48 H42 Cl N O5 P2 Pt S
• Title of publication: Photophysical Properties of Cyclometalated Platinum(II) Diphosphine Compounds in the Solid State and in PMMA Films.
• Authors of publication: Coffey, Belle; Clough, Lily; Bartkus, Daphne D.; McClellan, Ian C.; Greenberg, Matthew W.; LaFratta, Christopher N.; Tanski, Joseph M.; Anderson, Craig M.
• Journal of publication: ACS omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 42
• Pages of publication: 28316 - 28325
• a: 12.2464 ± 0.0009 Å
• b: 12.8292 ± 0.001 Å
• c: 15.963 ± 0.0012 Å
• α: 70.103 ± 0.001°
• β: 86.552 ± 0.001°
• γ: 65.453 ± 0.001°
• Cell volume: 2135.4 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No