Information card for entry 7008766

Structure parameters

• Common name: cis-bis((mu2-3,3,3',3'-tetraethyl-1,1'- isophthaloylbis(thioureato))di bromoplatinum(IV))
• Chemical name: cis-bis((mu2-3,3,3',3'-tetraethyl-1,1'-isophthaloylbis(thioureato))di bromoplatinum(IV))
• Formula: C36 H48 Br4 N8 O4 Pt2 S4
• Calculated formula: C36 H48 Br4 N8 O4 Pt2 S4
• SMILES: c1c2cc(C3=NC(=[S][Pt]4(O3)(OC(=NC(N(CC)CC)=[S]4)c3cccc(c3)C3=NC(N(CC)CC)=[S][Pt]4(OC2=NC(N(CC)CC)=[S]4)(Br)(Br)O3)(Br)Br)N(CC)CC)cc1
• 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: 9.2877 ± 0.0011 Å
• b: 18.736 ± 0.002 Å
• c: 13.8036 ± 0.0016 Å
• α: 90°
• β: 103.137 ± 0.002°
• γ: 90°
• Cell volume: 2339.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No