Information card for entry 4080673

Structure parameters

• Formula: C27.5 H26 Br Cl N4 Pt
• Calculated formula: C27.5 H26 Br Cl N4 Pt
• SMILES: [Pt]1(Br)([n]2cccc3c2c2[n]1cccc2cc3)(Cc1ccc(cc1)N=Nc1ccccc1)(C)C.C(Cl)Cl
• Title of publication: Photoswitchable Organoplatinum(IV) Complexes
• Authors of publication: Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2552
• a: 12.434 ± 0.003 Å
• b: 13.705 ± 0.003 Å
• c: 15.993 ± 0.003 Å
• α: 96.95 ± 0.03°
• β: 107.82 ± 0.03°
• γ: 95.22 ± 0.03°
• Cell volume: 2551.8 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No