Information card for entry 7702013

Structure parameters

• Common name: 3a
• Formula: C53 H50 Cl Fe N P2 Pt
• Calculated formula: C53 H50 Cl Fe N P2 Pt
• Title of publication: Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies.
• Authors of publication: Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1969 - 1981
• a: 11.827 ± 0.002 Å
• b: 21.12 ± 0.004 Å
• c: 18.536 ± 0.004 Å
• α: 90°
• β: 103.533 ± 0.003°
• γ: 90°
• Cell volume: 4501.5 ± 1.5 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 7
• 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: 0.0933
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No