Information card for entry 4115871

Structure parameters

• Formula: C36 H35 Mn O5 P2 Pt S
• Calculated formula: C36 H2 Mn O5 P2 Pt S
• SMILES: [Pt]1([S]2[Mn](C(=O)[C@H]([C@@H]2C)C)(C#[O])(C#[O])(C#[O])C#[O])([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C.[Pt]1([S]2[Mn](C(=O)[C@@H]([C@H]2C)C)(C#[O])(C#[O])(C#[O])C#[O])([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C
• Title of publication: Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction
• Authors of publication: Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 170 - 171
• a: 13.755 ± 0.007 Å
• b: 13.79 ± 0.006 Å
• c: 11.26 ± 0.006 Å
• α: 97.82 ± 0.04°
• β: 104.17 ± 0.04°
• γ: 75 ± 0.03°
• Cell volume: 1994.2 ± 1.8 ų
• Cell temperature: 113.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 2.918
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No