Information card for entry 7128075

Structure parameters

• Formula: C11 H8 Mo N4 O3
• Calculated formula: C11 H8 Mo N4 O3
• Title of publication: Zero-valent metals in metal-organic frameworks: fac-M(CO)₃(pyrazine)_3/2.
• Authors of publication: Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 32
• Pages of publication: 3861 - 3864
• a: 6.8571 ± 0.0008 Å
• b: 9.7204 ± 0.0011 Å
• c: 10.0406 ± 0.001 Å
• α: 64.131 ± 0.01°
• β: 88.185 ± 0.009°
• γ: 86.345 ± 0.01°
• Cell volume: 600.95 ± 0.13 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No