Information card for entry 7028003

Structure parameters

• Common name: cis-Dioxo-1(1-(2-mercapto-acetophenone)-4-triphenylmethylthiosemicarbazone -S,S,N))(methanol)molybdenum(VI)
• Formula: C31 H33 Mo N3 O5 S2
• Calculated formula: C31.25 H30 Mo N3 O5.25 S2
• Title of publication: Molybdenum complexes with tridentate NS2 ligands. Synthesis, crystal structures and spectroscopic properties
• Authors of publication: Stelzig, Lutz; Kötte, Stephan; Krebs, Bernt
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 17
• Pages of publication: 2921
• a: 9.715 ± 0.002 Å
• b: 10.256 ± 0.002 Å
• c: 18.122 ± 0.003 Å
• α: 75.66 ± 0.01°
• β: 83.29 ± 0.01°
• γ: 64.6 ± 0.01°
• Cell volume: 1580.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections: 0.1339
• Weighted residual factors for significantly intense reflections: 0.1253
• Goodness-of-fit parameter for all reflections: 0.958
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No