Information card for entry 4075564

Structure parameters

• Formula: C109.5 H101 Cl O7 P6 W2
• Calculated formula: C109.5 H101 Cl O7 P6 W2
• SMILES: [W]12([P](C#CCCCCCC#C[P]([W]([P](C#CCCCCCC#C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C#CCCCCCC#C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].C(Cl)Cl.O(CC)CC
• Title of publication: Synthesis of Ph2PC⋮C(CH2)5C⋮CPPh2Ligand and Its Complexation with Tungsten Carbonyls to Form a Dinuclear Paddle-Wheel and a Tetranuclear Tripodal Compound
• Authors of publication: Shiue, Tsun-Wei; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4150
• a: 21.1762 ± 0.0006 Å
• b: 22.3612 ± 0.0006 Å
• c: 41.0111 ± 0.001 Å
• α: 90°
• β: 90.3001 ± 0.0008°
• γ: 90°
• Cell volume: 19419.5 ± 0.9 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No