Information card for entry 4341111

Structure parameters

• Chemical name: tetrakis(mu-thiobenzoato-1kS:2kO)(aqua-2kO)(chlorido-1kCl) nickelplatinum - tetrahydrofurane (1/2)
• Formula: C36 H38 Cl Ni O7 Pt S4
• Calculated formula: C36 H38 Cl Ni O7 Pt S4
• SMILES: [Pt]1234([Ni]([O]=C(S1)c1ccccc1)([O]=C(S2)c1ccccc1)([O]=C(S3)c1ccccc1)([O]=C(S4)c1ccccc1)[OH2])Cl.O1CCCC1.O1CCCC1
• Title of publication: On the Road to MM'X Polymers: Redox Properties of Heterometallic Ni···Pt Paddlewheel Complexes.
• Authors of publication: Gennari, Marcello; Givaja, Gonzalo; Castillo, Oscar; Hermosilla, Laura; Gómez-García, Carlos J; Duboc, Carole; Lledós, Agustí; Mas-Ballesté, Ruben; Zamora, Felix
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10553 - 10562
• a: 21.743 ± 0.005 Å
• b: 11.782 ± 0.002 Å
• c: 14.893 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3815.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No