Information card for entry 4319893

Structure parameters

• Formula: C45 H35 Mn N2 O3 P2 Te
• Calculated formula: C45 H35 Mn N2 O3 P2 Te
• SMILES: [Mn]1([Te]c2ccccc2N1)(C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses, Reactivity, and π-Donating Ligand Metathesis Reaction of Five-Coordinate Sixteen-Electron Manganese(I) Complexes: Crystal Structures of [Mn(CO)3(-TeC6H4-o-NH-)]-, [(Mn(CO)3)2(μ-SC6H4-o-S-S-C6H4-o-μ-S-)], [(CO)3Mn(μ-SC6H4-o-NH2-)]2, and [(CO)3Mn(μ-SC8N2H4-o-S-)]22-
• Authors of publication: Wen-Feng Liaw; Chien-Kuo Hsieh; Ging-Yi Lin; Gene-Hsiang Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3468 - 3475
• a: 9.872 ± 0.002 Å
• b: 14.268 ± 0.003 Å
• c: 14.428 ± 0.003 Å
• α: 89.68 ± 0.03°
• β: 89.08 ± 0.03°
• γ: 81.23 ± 0.03°
• Cell volume: 2008.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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 all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.0904
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No