Information card for entry 4323325

Structure parameters

• Formula: C6 H18 Cl3 Mo O2 P2
• Calculated formula: C6 H18 Cl3 Mo O2 P2
• SMILES: [Mo](Cl)(Cl)(Cl)(=O)([O]=P(C)(C)C)[P](C)(C)C
• Title of publication: The [Cl2OMo(μ-OC2H5)2(μ-HOC2H5)MoOCl2]/PMe3 System: A Chameleon Yielding the X-ray Structures of MoOCl2(PMe3)3, MoOCl3(PMe3)2, Mo4O4Cl4(μ2-OEt)4(PMe3)2(μ3-O)2, and MoOCl3(OPMe3)(PMe3)
• Authors of publication: Christian Limberg; Michael Büchner; Katja Heinze; Olaf Walter
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 872 - 879
• a: 6.783 ± 0.003 Å
• b: 12.623 ± 0.004 Å
• c: 18.298 ± 0.008 Å
• α: 90°
• β: 98.58 ± 0.03°
• γ: 90°
• Cell volume: 1549.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.1043
• Goodness-of-fit parameter for all reflections: 0.847
• Goodness-of-fit parameter for significantly intense reflections: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No