Information card for entry 7023712

Structure parameters

• Formula: C36 H70 Br4 Cl8 N4 P4 Pt2
• Calculated formula: C36 H70 Br4 Cl8 N4 P4 Pt2
• SMILES: C1(N(c2c(cc3c(c2)N(C(N3C(C)C)=[Pt]2([P](C)(C)CC[P]2(C)C)Br)C(C)C)N1C(C)C)C(C)C)=[Pt]1([P](C)(CC[P]1(C)C)C)Br.[Br-].C(Cl)Cl.C(Cl)Cl.[Br-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.
• Authors of publication: Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16128 - 16141
• a: 16.8861 ± 0.0012 Å
• b: 11.9102 ± 0.0009 Å
• c: 14.9781 ± 0.0011 Å
• α: 90°
• β: 101.431 ± 0.001°
• γ: 90°
• Cell volume: 2952.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No