Information card for entry 7243384

Structure parameters

• Formula: C28 H42 N4 O4 Pt
• Calculated formula: C28 H42 N4 O4 Pt
• SMILES: [Pt]12([N](c3c(cc(c(c3)CCCC)CCCC)N1O)=O)[N](c1c(cc(c(c1)CCCC)CCCC)N2O)=O
• Title of publication: Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex
• Authors of publication: Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 36
• Pages of publication: 6359 - 6364
• a: 20.602 ± 0.0017 Å
• b: 4.8431 ± 0.0001 Å
• c: 27.9031 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2784.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 140000 kPa
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No