Information card for entry 7128076

Structure parameters

• Formula: C9 H6 N3 O3 W
• Calculated formula: C9 H6 N3 O3 W
• 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: 16.13834 ± 0.00017 Å
• b: 16.13834 ± 0.00017 Å
• c: 16.13834 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4203.17 ± 0.08 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections included in the refinement: 0.0252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No