Information card for entry 7008765

Structure parameters

• Common name: cis-Bis((mu2-3,3,3',3'-tetraethyl-1,1'- isophthaloylbis(thioureato))di iodoplatinum(IV))
• Chemical name: cis-Bis((mu2-3,3,3',3'-tetraethyl-1,1'-isophthaloylbis(thioureato))di iodoplatinum(IV))
• Formula: C36 H48 I4 N8 O4 Pt2 S4
• Calculated formula: C36 H48 I4 N8 O4 Pt2 S4
• SMILES: c1cc2cc(c1)C1=NC(=[S][Pt]3(O1)(I)(I)OC(c1cccc(c1)C1=NC(=[S][Pt]4(I)(I)(OC2=NC(=[S]4)N(CC)CC)O1)N(CC)CC)=NC(N(CC)CC)=[S]3)N(CC)CC
• Title of publication: First metallamacrocyclic complexes of Pt(iv) with 3,3,3',3'-tetraalkyl-1,1'-phenylenedicarbonylbis(thioureas): synthesis by direct or electrolytic oxidative addition of I(2), Br(2) and Cl(2).
• Authors of publication: Westra, Arjan N.; Bourne, Susan A.; Koch, Klaus R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 17
• Pages of publication: 2916 - 2924
• a: 10.087 ± 0.002 Å
• b: 10.498 ± 0.002 Å
• c: 11.975 ± 0.002 Å
• α: 84.5 ± 0.03°
• β: 87.24 ± 0.03°
• γ: 80.8 ± 0.03°
• Cell volume: 1245.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No