Information card for entry 4342809

Structure parameters

• Formula: C59.5 H66 Cl2 N2 O3.5 P4 Pd2 S4
• Calculated formula: C58 H56 Cl2 N2 O2 P4 Pd2 S4
• SMILES: C1C[P](c2ccccc2)([Pd]23[P](CCN1C1=[S][Pd]4([P](CCN(C(=[S]2)S3)CC[P]4(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)S1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].O.[Cl-].O
• Title of publication: Multimetallic complexes based on a diphosphine-dithiocarbamate "janus" ligand.
• Authors of publication: Sherwood, Rebecca; Gonzàlez de Rivera, Ferran; Wan, Jane Hui; Zhang, Qi; White, Andrew J. P.; Rossell, Oriol; Hogarth, Graeme; Wilton-Ely, James D E T
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4222 - 4230
• a: 11.4321 ± 0.0003 Å
• b: 17.1025 ± 0.0005 Å
• c: 15.394 ± 0.0005 Å
• α: 90°
• β: 100.016 ± 0.003°
• γ: 90°
• Cell volume: 2963.92 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No