Information card for entry 4323323

Structure parameters

• Formula: C7 H19 Cl2 Mo2 O5 P
• Calculated formula: C7 H19 Cl2 Mo2 O5 P
• 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: 11.1763 ± 0.0015 Å
• b: 11.616 ± 0.002 Å
• c: 12.771 ± 0.003 Å
• α: 90°
• β: 109.838 ± 0.011°
• γ: 90°
• Cell volume: 1559.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1801
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections: 0.211
• Weighted residual factors for significantly intense reflections: 0.1566
• Goodness-of-fit parameter for all reflections: 0.952
• Goodness-of-fit parameter for significantly intense reflections: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No