Information card for entry 4517451

Structure parameters

• Formula: C4 H5 Mo O8
• Calculated formula: C4 H5 Mo O8
• Title of publication: Hydrothermal Synthesis and Structure of a Dinuclear Molybdenum(III) Hydroxy Squarate with a Mo‒Mo Bond
• Authors of publication: Barber, Greg D.; George, Christy; Hogg, Kathryn; Johnstone, Shae T.; Pacheco, Carlos N.; Yennawar, Hemant P.; Van Der Sluys, William G.
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 7.555 ± 0.009 Å
• b: 7.727 ± 0.009 Å
• c: 8.337 ± 0.009 Å
• α: 105.747 ± 0.018°
• β: 96.866 ± 0.019°
• γ: 115.116 ± 0.017°
• Cell volume: 408.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No