Information card for entry 4323418

Structure parameters

• Formula: C22 H24 Mo2 O4 Se2
• Calculated formula: C22 H24 Mo2 O4 Se2
• SMILES: [Mo]12345(C#[O])(C#[O])([cH]6[cH]1[cH]2[cH]3[cH]46)[Se](CC(=C)C)[Mo]1234([Se]5CC(=C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Organometallic Selenolates. 5.1 Synthesis and Complexing Properties of 2-Propene- and 2-Methyl-2-propeneselenolato Molybdenum and Tungsten Compounds. Crystal Structures of cp(CO)3WSeCH2C(CH3)CH2, [cp(CO)2MoSeCH2C(CH3)CH2]2, [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)W(CO)5], [cp(CO)3Mo(μ-SeCH2C(CH3)CH2)Mo(CO)5], and [cp(CO)3Mo(μ-SeCH2CHCH2)Mo(CO)5]
• Authors of publication: Peter G. Jones; Jörg Laube; Carsten Thöne
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2097 - 2102
• a: 11.151 ± 0.002 Å
• b: 13.436 ± 0.003 Å
• c: 16.872 ± 0.003 Å
• α: 90°
• β: 102.42 ± 0.02°
• γ: 90°
• Cell volume: 2468.7 ± 0.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.0798
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No