Information card for entry 2007813

Structure parameters

• Chemical name: pyridino-1κN-μ-nitrobenzolate-2κO;3κO'- tris(diethoxyldithiophosphate)-1κ^2^S,S';2κ^2^S,S';3κ^2^S,S'-μ~3~- thio-tri-μ-thio-1:2κ^2^S;1:3κ^2^S;2:3κ^2^S-triangulo-trimolybdenum
• Formula: C24 H39 Mo3 N2 O10 P3 S10
• Calculated formula: C24 H39 Mo3 N2 O10 P3 S10
• SMILES: [Mo]12345([S]6[Mo]4789(S1)(S[Mo]1569(S2)(SP(=[S]1)(OCC)OCC)OC(=[O]8)c1c(N(=O)=O)cccc1)SP(=[S]7)(OCC)OCC)(SP(=[S]3)(OCC)OCC)[n]1ccccc1
• Title of publication: A Trinuclear Molybdenum Cluster Coordinated by <i>o</i>-Nitrobenzoate
• Authors of publication: Xia, Ji-Bo; Yao, Yuan-Gen; Wu, Ling; Huang, Xiao-Ying; Lu, Jia-Xi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1612 - 1615
• a: 10.526 ± 0.006 Å
• b: 14.03 ± 0.004 Å
• c: 16.884 ± 0.004 Å
• α: 93.16 ± 0.02°
• β: 103.19 ± 0.03°
• γ: 110.99 ± 0.03°
• Cell volume: 2240.7 ± 1.6 ų
• Cell temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No