Information card for entry 4517452

Structure parameters

• Formula: C4 H5 Cr O8
• Calculated formula: C4 H5 Cr 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: 7.489 ± 0.004 Å
• b: 7.545 ± 0.004 Å
• c: 8.142 ± 0.004 Å
• α: 106.303 ± 0.009°
• β: 95.252 ± 0.01°
• γ: 113.775 ± 0.01°
• Cell volume: 393 ± 0.4 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: 0.0489
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No