Information card for entry 7027437

Structure parameters

• Formula: C25 H33 Cl7 N2 W
• Calculated formula: C25 H33 Cl7 N2 W
• SMILES: [W]12345(Cl)(Cl)(Cl)([n]6ccc(cc6c6[n]1ccc(c6)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)CC.ClCCl.ClCCl
• Title of publication: Synthesis and crystal structure of the 16 e− cationic tungsten(IV) complex [WCp*(4,4′-Me2bipy)Cl2]+BPh4− †
• Authors of publication: Cremer, Christian; Burger, Peter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1967
• a: 8.324 ± 0.001 Å
• b: 17.879 ± 0.003 Å
• c: 20.464 ± 0.004 Å
• α: 90°
• β: 100.92°
• γ: 90°
• Cell volume: 2990.4 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.1463
• Weighted residual factors for significantly intense reflections: 0.1069
• Goodness-of-fit parameter for all reflections: 1.321
• Goodness-of-fit parameter for significantly intense reflections: 1.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No