Information card for entry 7001373

Structure parameters

• Formula: C63 H60 Fe N2 O2 P2 Pt
• Calculated formula: C63 H60 Fe N2 O2 P2 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C](#[CH]1)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(CC)CC
• Title of publication: Synthesis and characterisation of hetero-bimetallic organometallic phenylalanine and PNA monomer derivatives
• Authors of publication: Gasser, Gilles; Brosch, Oliver; Ewers, Alexandra; Weyhermüller, Thomas; Metzler-Nolte, Nils
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 22
• Pages of publication: 4310 - 4317
• a: 16.116 ± 0.002 Å
• b: 18.556 ± 0.002 Å
• c: 19.21 ± 0.003 Å
• α: 90°
• β: 111.24 ± 0.02°
• γ: 90°
• Cell volume: 5354.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No