Information card for entry 7046894

Structure parameters

• Formula: C31 H30 Mo2 O3 P2 S4
• Calculated formula: C31 H30 Mo2 O3 P2 S4
• Title of publication: Mixed-valence dimolybdenum complexes containing hard oxo and soft carbonyl ligands: synthesis, structure, and electrochemistry of Mo₂(O)(CO)₂(μ-κ²-S(CH₂)_nS)₂(κ²-diphosphine).
• Authors of publication: Haque, Mohd Rezaul; Ghosh, Shishir; Rahman, Md Matiar; Siddiquee, Tasneem A.; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 10102 - 10112
• a: 16.1232 ± 0.0015 Å
• b: 11.467 ± 0.0011 Å
• c: 19.7039 ± 0.0019 Å
• α: 90°
• β: 108.445 ± 0.008°
• γ: 90°
• Cell volume: 3455.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No