Information card for entry 2018425

Structure parameters

• Chemical name: dichlorido-2κ^2^<i>Cl</i>-μ-oxido-κ^2^<i>O</i>:<i>O</i>-tetraoxido- 1κ^2^<i>O</i>,2κ^2^<i>O</i>-[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl- 1κ<i>N</i>^2^)methane]dimolybdenum(IV) acetonitrile monosolvate
• Formula: C18 H25 Cl2 Mo2 N7 O5
• Calculated formula: C18 H25 Cl2 Mo2 N7 O5
• Title of publication: A novel dinuclear Mo^VI^ complex with tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane
• Authors of publication: Gago, Sandra; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Gonçalves, Isabel S.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m73 - m75
• a: 8.6346 ± 0.0005 Å
• b: 21.6152 ± 0.0012 Å
• c: 13.6021 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2538.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes