Information card for entry 7031923

Structure parameters

• Formula: C124.4 H152.8 Mo4 N14 O19.6 S2
• Calculated formula: C124.4 H112 Mo4 N14 O19.6 S2
• Title of publication: Tuning the electronic coupling in Mo2-Mo2 systems by variation of the coordinating atoms of the bridging ligands.
• Authors of publication: Shu, Yao; Lei, Hao; Tan, Ying Ning; Meng, Miao; Zhang, Xiao Chun; Liu, Chun Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14756 - 14765
• a: 11.541 ± 0.0004 Å
• b: 11.759 ± 0.0004 Å
• c: 24.0969 ± 0.0009 Å
• α: 76.162 ± 0.003°
• β: 86.324 ± 0.003°
• γ: 72.438 ± 0.003°
• Cell volume: 3027.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No