Information card for entry 7117126

Structure parameters

• Formula: C40 H72 Mo2 N32 O11 Zn4
• Calculated formula: C40 H72 Mo2 N32 O11 Zn4
• Title of publication: First evidence of light-induced spin transition in molybdenum(IV)
• Authors of publication: N. Bridonneau; J. Long; J.-L. Cantin; J. von Bardeleben; S. Pillet; E.-E. Bendeif; D. Aravena; E. Ruiz; V. Marvaud
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8229
• a: 14.7778 ± 0.0003 Å
• b: 14.8566 ± 0.0003 Å
• c: 31.0576 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6818.6 ± 0.2 ų
• Cell temperature: 10 ± 5 K
• Ambient diffraction temperature: 10 ± 5 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No