Information card for entry 7049411

Structure parameters

• Formula: C21 H28 Cl2 N4 Pt2 S4
• Calculated formula: C21 H28 Cl2 N4 Pt2 S4
• Title of publication: A double rollover cycloplatinated(ii) skeleton: a versatile platform for tuning emission by chelating and non-chelating ancillary ligand systems.
• Authors of publication: Paziresh, Sareh; Babadi Aghakhanpour, Reza; Fuertes, Sara; Sicilia, Violeta; Niroomand Hosseini, Fatemeh; Nabavizadeh, S. Masoud
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5713 - 5724
• a: 12.471 ± 0.0007 Å
• b: 8.2668 ± 0.0003 Å
• c: 14.3476 ± 0.0008 Å
• α: 90°
• β: 111.524 ± 0.006°
• γ: 90°
• Cell volume: 1376.02 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No