Information card for entry 4065966

Structure parameters

• Common name: [(CO)4Mn(PPh2)2CH-Se2-CH(PPh2)2Mn(CO)4][ClO4]2·2[CH2Cl2]
• Formula: C60 H46 Cl6 Mn2 O16 P4 Se2
• Calculated formula: C60 H46 Cl6 Mn2 O16 P4 Se2
• SMILES: [Se]([Se]C1[P]([Mn](C#[O])(C#[O])(C#[O])(C#[O])[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C1[P]([Mn](C#[O])(C#[O])(C#[O])(C#[O])[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl.ClCCl
• Title of publication: Synthesis and Se−Se Bond Breaking of Polyselenides Containing Pendant Diphosphine Complexes of Manganese(I)†
• Authors of publication: Ruiz, Javier; Araúz, René; Ceroni, Mario; Vivanco, Marilín; Van der Maelen, Juan F.; García-Granda, Santiago
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 3058
• a: 11.742 ± 0.004 Å
• b: 15.627 ± 0.004 Å
• c: 20.587 ± 0.011 Å
• α: 70.01 ± 0.03°
• β: 82.4 ± 0.04°
• γ: 68.94 ± 0.02°
• Cell volume: 3313 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1437
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No